Natural Product: NPC315351

Natural Product ID:  NPC315351
Common Name:   Daunorubicinol
IUPAC Name:   (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(1-hydroxyethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Synonyms:  
Molecular Formula:   C27H31NO10
Standard InCHIKey:  HJEZFVLKJYFNQW-FKKRWUELSA-N
Standard InCHI:  InChI=1S/C27H31NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10-11,14,16-17,22,29-30,32,34-35H,7-9,28H2,1-3H3/t10-,11?,14-,16-,17-,22+,27-/m0/s1
Canonical SMILES:  COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@H]1C[C@H](N)[C@@H]([C@@H](O1)C)O)C[C@](C2)(O)C(O)C
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO6232 Streptomyces griseus Species Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT137 Cell Line L1210 Mus musculus Inhibition = 12.1 % 1271407
NPT137 Cell Line L1210 Mus musculus Inhibition = 30.8 % 1271407
NPT137 Cell Line L1210 Mus musculus Inhibition = 36.8 % 1271407
NPT137 Cell Line L1210 Mus musculus Inhibition = 11.2 % 1271407
NPT137 Cell Line L1210 Mus musculus Inhibition = 28.9 % 1271407
NPT137 Cell Line L1210 Mus musculus Inhibition = 46.4 % 1271407
NPT137 Cell Line L1210 Mus musculus Ratio = 94 1271407
NPT137 Cell Line L1210 Mus musculus Ratio = 88 1271407

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC315351 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
1.0 High Similarity NPC316412
0.9887 High Similarity NPC314738
0.9887 High Similarity NPC109403
0.9887 High Similarity NPC261012
0.9076 High Similarity NPC42286
0.9027 High Similarity NPC313274
0.8857 High Similarity NPC478022
0.8857 High Similarity NPC478020
0.8763 High Similarity NPC315253
0.8698 High Similarity NPC315889
0.8681 High Similarity NPC299149
0.8681 High Similarity NPC277710
0.8681 High Similarity NPC153578
0.8681 High Similarity NPC114257
0.8674 High Similarity NPC102053
0.8674 High Similarity NPC475246
0.8667 High Similarity NPC85368
0.8659 High Similarity NPC478021
0.8639 High Similarity NPC314941
0.8634 High Similarity NPC315221
0.8619 High Similarity NPC3718
0.8611 High Similarity NPC76128
0.8611 High Similarity NPC30432
0.8611 High Similarity NPC271385
0.8611 High Similarity NPC111536
0.8611 High Similarity NPC5029
0.8611 High Similarity NPC294501
0.8587 High Similarity NPC313452
0.8579 High Similarity NPC58538
0.8571 High Similarity NPC475233
0.8571 High Similarity NPC46958
0.8564 High Similarity NPC203751
0.8533 High Similarity NPC477860
0.8533 High Similarity NPC475161
0.8531 High Similarity NPC146837
0.8531 High Similarity NPC212099
0.8531 High Similarity NPC101116
0.8531 High Similarity NPC278329
0.8516 High Similarity NPC68381
0.85 High Similarity NPC222455
0.8495 Intermediate Similarity NPC87583
0.847 Intermediate Similarity NPC289876
0.8465 Intermediate Similarity NPC252156
0.8462 Intermediate Similarity NPC98776
0.8462 Intermediate Similarity NPC472054
0.8462 Intermediate Similarity NPC199357
0.8449 Intermediate Similarity NPC105591
0.8441 Intermediate Similarity NPC292706
0.8441 Intermediate Similarity NPC224557
0.8436 Intermediate Similarity NPC178281
0.8418 Intermediate Similarity NPC284495
0.8398 Intermediate Similarity NPC246274
0.8378 Intermediate Similarity NPC212290
0.836 Intermediate Similarity NPC314672
0.8352 Intermediate Similarity NPC298778
0.8343 Intermediate Similarity NPC63470
0.8343 Intermediate Similarity NPC103633
0.8333 Intermediate Similarity NPC197357
0.8333 Intermediate Similarity NPC85316
0.8333 Intermediate Similarity NPC108487
0.8324 Intermediate Similarity NPC216752
0.8324 Intermediate Similarity NPC97637
0.8324 Intermediate Similarity NPC187934
0.8315 Intermediate Similarity NPC199533
0.8315 Intermediate Similarity NPC146803
0.8315 Intermediate Similarity NPC470667
0.8315 Intermediate Similarity NPC470454
0.8315 Intermediate Similarity NPC186800
0.8306 Intermediate Similarity NPC315619
0.8305 Intermediate Similarity NPC208651
0.8305 Intermediate Similarity NPC206641
0.8297 Intermediate Similarity NPC175477
0.8297 Intermediate Similarity NPC259905
0.8289 Intermediate Similarity NPC478001
0.8289 Intermediate Similarity NPC329790
0.8287 Intermediate Similarity NPC178851
0.828 Intermediate Similarity NPC84494
0.828 Intermediate Similarity NPC245059
0.8261 Intermediate Similarity NPC213052
0.8258 Intermediate Similarity NPC53139
0.8251 Intermediate Similarity NPC470580
0.8238 Intermediate Similarity NPC133775
0.8235 Intermediate Similarity NPC470452
0.8235 Intermediate Similarity NPC164047
0.8235 Intermediate Similarity NPC470453
0.8235 Intermediate Similarity NPC470448
0.8232 Intermediate Similarity NPC329647
0.8232 Intermediate Similarity NPC11608
0.8232 Intermediate Similarity NPC470735
0.8232 Intermediate Similarity NPC297404
0.8216 Intermediate Similarity NPC470583
0.8216 Intermediate Similarity NPC19056
0.8216 Intermediate Similarity NPC474345
0.8211 Intermediate Similarity NPC205721
0.8207 Intermediate Similarity NPC270027
0.8207 Intermediate Similarity NPC183441
0.8202 Intermediate Similarity NPC177742
0.8201 Intermediate Similarity NPC241847
0.8192 Intermediate Similarity NPC3449
0.8191 Intermediate Similarity NPC473631
0.8191 Intermediate Similarity NPC293227
0.8191 Intermediate Similarity NPC475662
0.8191 Intermediate Similarity NPC473717
0.8182 Intermediate Similarity NPC72783
0.8172 Intermediate Similarity NPC314489
0.8172 Intermediate Similarity NPC232818
0.8172 Intermediate Similarity NPC198893
0.8154 Intermediate Similarity NPC131405
0.8152 Intermediate Similarity NPC241874
0.8146 Intermediate Similarity NPC283480
0.8146 Intermediate Similarity NPC148323
0.8142 Intermediate Similarity NPC324522
0.8142 Intermediate Similarity NPC234497
0.8142 Intermediate Similarity NPC472058
0.8142 Intermediate Similarity NPC105414
0.8142 Intermediate Similarity NPC470341
0.8132 Intermediate Similarity NPC478026
0.8128 Intermediate Similarity NPC115447
0.8128 Intermediate Similarity NPC470581
0.8128 Intermediate Similarity NPC266513
0.8128 Intermediate Similarity NPC470582
0.8122 Intermediate Similarity NPC478229
0.8118 Intermediate Similarity NPC307754
0.8118 Intermediate Similarity NPC223735
0.8118 Intermediate Similarity NPC70862
0.8118 Intermediate Similarity NPC63105
0.8108 Intermediate Similarity NPC477836
0.8105 Intermediate Similarity NPC229817
0.8105 Intermediate Similarity NPC475352
0.8105 Intermediate Similarity NPC475220
0.8105 Intermediate Similarity NPC473686
0.8105 Intermediate Similarity NPC221140
0.8103 Intermediate Similarity NPC316164
0.8098 Intermediate Similarity NPC473202
0.8098 Intermediate Similarity NPC137460
0.809 Intermediate Similarity NPC82190
0.809 Intermediate Similarity NPC174599
0.809 Intermediate Similarity NPC192219
0.8087 Intermediate Similarity NPC70441
0.8085 Intermediate Similarity NPC283980
0.8085 Intermediate Similarity NPC187441
0.8077 Intermediate Similarity NPC17432
0.8075 Intermediate Similarity NPC170018
0.8075 Intermediate Similarity NPC66820
0.8075 Intermediate Similarity NPC76112
0.8075 Intermediate Similarity NPC176246
0.8075 Intermediate Similarity NPC92403
0.8066 Intermediate Similarity NPC73148
0.8065 Intermediate Similarity NPC470438
0.8065 Intermediate Similarity NPC470335
0.8065 Intermediate Similarity NPC470336
0.8056 Intermediate Similarity NPC324736
0.8054 Intermediate Similarity NPC44558
0.8054 Intermediate Similarity NPC105511
0.8054 Intermediate Similarity NPC313304
0.8043 Intermediate Similarity NPC225419
0.8042 Intermediate Similarity NPC208069
0.8034 Intermediate Similarity NPC205172
0.8034 Intermediate Similarity NPC209393
0.8034 Intermediate Similarity NPC470408
0.8034 Intermediate Similarity NPC218870
0.8034 Intermediate Similarity NPC474622
0.8034 Intermediate Similarity NPC182921
0.8034 Intermediate Similarity NPC474621
0.8034 Intermediate Similarity NPC474824
0.8033 Intermediate Similarity NPC99216
0.8032 Intermediate Similarity NPC470334
0.8032 Intermediate Similarity NPC478000
0.8032 Intermediate Similarity NPC83331
0.8032 Intermediate Similarity NPC472387
0.8031 Intermediate Similarity NPC264302
0.803 Intermediate Similarity NPC314946
0.8022 Intermediate Similarity NPC56735
0.8022 Intermediate Similarity NPC473961
0.8022 Intermediate Similarity NPC44947
0.8022 Intermediate Similarity NPC61594
0.8021 Intermediate Similarity NPC473618
0.8011 Intermediate Similarity NPC205076
0.8011 Intermediate Similarity NPC473113
0.8011 Intermediate Similarity NPC48773
0.8011 Intermediate Similarity NPC307518
0.8011 Intermediate Similarity NPC472320
0.8011 Intermediate Similarity NPC328093
0.8011 Intermediate Similarity NPC301683
0.8011 Intermediate Similarity NPC267254
0.8011 Intermediate Similarity NPC471976
0.8011 Intermediate Similarity NPC260263
0.8 Intermediate Similarity NPC473883
0.8 Intermediate Similarity NPC476203
0.8 Intermediate Similarity NPC191653
0.8 Intermediate Similarity NPC472381
0.8 Intermediate Similarity NPC23817
0.8 Intermediate Similarity NPC314687
0.8 Intermediate Similarity NPC472383
0.799 Intermediate Similarity NPC314596
0.799 Intermediate Similarity NPC314459
0.799 Intermediate Similarity NPC470199
0.7989 Intermediate Similarity NPC477835
0.7989 Intermediate Similarity NPC178173
0.7979 Intermediate Similarity NPC272656

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC315351 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.9887 High Similarity NPD6779 Approved
0.9887 High Similarity NPD6777 Approved
0.9887 High Similarity NPD6780 Approved
0.9887 High Similarity NPD6776 Approved
0.9887 High Similarity NPD6781 Approved
0.9887 High Similarity NPD6778 Approved
0.9887 High Similarity NPD6782 Approved
0.9613 High Similarity NPD7696 Phase 3
0.9613 High Similarity NPD7697 Approved
0.9613 High Similarity NPD7698 Approved
0.9605 High Similarity NPD6535 Approved
0.9605 High Similarity NPD6534 Approved
0.956 High Similarity NPD7871 Phase 2
0.956 High Similarity NPD7870 Phase 2
0.9451 High Similarity NPD6823 Phase 2
0.9444 High Similarity NPD7700 Phase 2
0.9444 High Similarity NPD7699 Phase 2
0.9358 High Similarity NPD7801 Approved
0.9293 High Similarity NPD7435 Discontinued
0.9096 High Similarity NPD7701 Phase 2
0.9 High Similarity NPD7874 Approved
0.9 High Similarity NPD7875 Clinical (unspecified phase)
0.8929 High Similarity NPD8155 Clinical (unspecified phase)
0.8854 High Similarity NPD7782 Clinical (unspecified phase)
0.8854 High Similarity NPD7783 Phase 2
0.875 High Similarity NPD7879 Clinical (unspecified phase)
0.8706 High Similarity NPD8059 Phase 3
0.8706 High Similarity NPD8058 Clinical (unspecified phase)
0.8703 High Similarity NPD6213 Phase 3
0.8703 High Similarity NPD6212 Phase 3
0.8703 High Similarity NPD6214 Clinical (unspecified phase)
0.8639 High Similarity NPD8320 Phase 1
0.8639 High Similarity NPD8319 Approved
0.8497 Intermediate Similarity NPD7211 Clinical (unspecified phase)
0.8462 Intermediate Similarity NPD8151 Discontinued
0.8075 Intermediate Similarity NPD8312 Approved
0.8075 Intermediate Similarity NPD8313 Approved
0.8042 Intermediate Similarity NPD8150 Discontinued
0.798 Intermediate Similarity NPD7930 Approved
0.7901 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7865 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7817 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7807 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD6559 Discontinued
0.7772 Intermediate Similarity NPD6959 Discontinued
0.7766 Intermediate Similarity NPD7074 Phase 3
0.7765 Intermediate Similarity NPD4380 Phase 2
0.7761 Intermediate Similarity NPD7999 Approved
0.7713 Intermediate Similarity NPD7054 Approved
0.7672 Intermediate Similarity NPD7472 Approved
0.766 Intermediate Similarity NPD3818 Discontinued
0.766 Intermediate Similarity NPD3751 Discontinued
0.7644 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7634 Intermediate Similarity NPD6232 Discontinued
0.7632 Intermediate Similarity NPD6797 Phase 2
0.7619 Intermediate Similarity NPD5844 Phase 1
0.7606 Intermediate Similarity NPD7473 Discontinued
0.7592 Intermediate Similarity NPD7251 Discontinued
0.7552 Intermediate Similarity NPD7808 Phase 3
0.755 Intermediate Similarity NPD8285 Discontinued
0.7549 Intermediate Similarity NPD7584 Approved
0.754 Intermediate Similarity NPD3787 Discontinued
0.746 Intermediate Similarity NPD6166 Phase 2
0.746 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.746 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7446 Intermediate Similarity NPD7819 Suspended
0.7446 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7419 Intermediate Similarity NPD7075 Discontinued
0.7418 Intermediate Similarity NPD3226 Approved
0.7354 Intermediate Similarity NPD5711 Approved
0.7354 Intermediate Similarity NPD5710 Approved
0.7347 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.734 Intermediate Similarity NPD5494 Approved
0.7322 Intermediate Similarity NPD7458 Discontinued
0.7312 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7312 Intermediate Similarity NPD5402 Approved
0.7297 Intermediate Similarity NPD1934 Approved
0.7295 Intermediate Similarity NPD6973 Clinical (unspecified phase)
0.7292 Intermediate Similarity NPD7228 Approved
0.7277 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.726 Intermediate Similarity NPD7585 Approved
0.7258 Intermediate Similarity NPD2801 Approved
0.7258 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7243 Intermediate Similarity NPD7411 Suspended
0.7236 Intermediate Similarity NPD8360 Approved
0.7236 Intermediate Similarity NPD8361 Approved
0.7228 Intermediate Similarity NPD2649 Approved
0.7228 Intermediate Similarity NPD2651 Approved
0.7212 Intermediate Similarity NPD7583 Approved
0.7204 Intermediate Similarity NPD6844 Discontinued
0.7204 Intermediate Similarity NPD6801 Discontinued
0.7202 Intermediate Similarity NPD7177 Discontinued
0.7198 Intermediate Similarity NPD2533 Approved
0.7198 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7198 Intermediate Similarity NPD2532 Approved
0.7198 Intermediate Similarity NPD2534 Approved
0.7194 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7194 Intermediate Similarity NPD5026 Approved
0.7194 Intermediate Similarity NPD5034 Approved
0.7194 Intermediate Similarity NPD4955 Approved
0.7194 Intermediate Similarity NPD4954 Approved
0.7194 Intermediate Similarity NPD36 Approved
0.7194 Intermediate Similarity NPD5028 Approved
0.7188 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7171 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7171 Intermediate Similarity NPD8486 Clinical (unspecified phase)
0.7166 Intermediate Similarity NPD8455 Phase 2
0.7165 Intermediate Similarity NPD8470 Clinical (unspecified phase)
0.715 Intermediate Similarity NPD8435 Approved
0.715 Intermediate Similarity NPD8404 Phase 2
0.7143 Intermediate Similarity NPD7390 Discontinued
0.7143 Intermediate Similarity NPD8368 Discontinued
0.7143 Intermediate Similarity NPD5030 Phase 2
0.7136 Intermediate Similarity NPD5038 Approved
0.7136 Intermediate Similarity NPD5037 Approved
0.7136 Intermediate Similarity NPD3863 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD2935 Discontinued
0.7121 Intermediate Similarity NPD8407 Phase 2
0.7112 Intermediate Similarity NPD37 Approved
0.7105 Intermediate Similarity NPD6234 Discontinued
0.7104 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7104 Intermediate Similarity NPD4662 Approved
0.7104 Intermediate Similarity NPD4661 Approved
0.7097 Intermediate Similarity NPD8366 Approved
0.7095 Intermediate Similarity NPD2346 Discontinued
0.7092 Intermediate Similarity NPD3823 Discontinued
0.709 Intermediate Similarity NPD4965 Approved
0.709 Intermediate Similarity NPD4966 Approved
0.709 Intermediate Similarity NPD4967 Phase 2
0.7085 Intermediate Similarity NPD5036 Approved
0.7079 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7068 Intermediate Similarity NPD4666 Phase 3
0.7067 Intermediate Similarity NPD7497 Discontinued
0.7056 Intermediate Similarity NPD7038 Approved
0.7056 Intermediate Similarity NPD7039 Approved
0.7056 Intermediate Similarity NPD1549 Phase 2
0.7056 Intermediate Similarity NPD7685 Pre-registration
0.7053 Intermediate Similarity NPD3749 Approved
0.705 Intermediate Similarity NPD8434 Phase 2
0.7045 Intermediate Similarity NPD8491 Approved
0.7043 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7032 Intermediate Similarity NPD5619 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD3808 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD8485 Approved
0.7019 Intermediate Similarity NPD5006 Approved
0.7019 Intermediate Similarity NPD5005 Approved
0.7016 Intermediate Similarity NPD5709 Phase 3
0.701 Intermediate Similarity NPD4363 Phase 3
0.701 Intermediate Similarity NPD4360 Phase 2
0.701 Intermediate Similarity NPD4575 Clinical (unspecified phase)
0.7005 Intermediate Similarity NPD6599 Discontinued
0.7 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD7768 Phase 2
0.7 Intermediate Similarity NPD3882 Suspended
0.7 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.699 Remote Similarity NPD4420 Approved
0.6985 Remote Similarity NPD5035 Approved
0.6983 Remote Similarity NPD1510 Phase 2
0.6978 Remote Similarity NPD4628 Phase 3
0.6978 Remote Similarity NPD1878 Clinical (unspecified phase)
0.697 Remote Similarity NPD7240 Approved
0.6966 Remote Similarity NPD1607 Approved
0.6947 Remote Similarity NPD3817 Phase 2
0.6941 Remote Similarity NPD7907 Approved
0.6935 Remote Similarity NPD5403 Approved
0.6927 Remote Similarity NPD4665 Approved
0.6927 Remote Similarity NPD4111 Phase 1
0.6906 Remote Similarity NPD7654 Discontinued
0.6895 Remote Similarity NPD1465 Phase 2
0.689 Remote Similarity NPD2494 Approved
0.689 Remote Similarity NPD2493 Approved
0.6884 Remote Similarity NPD5029 Approved
0.6884 Remote Similarity NPD5031 Approved
0.6884 Remote Similarity NPD5027 Approved
0.6882 Remote Similarity NPD2676 Approved
0.6882 Remote Similarity NPD2675 Approved
0.6881 Remote Similarity NPD8424 Clinical (unspecified phase)
0.6868 Remote Similarity NPD970 Clinical (unspecified phase)
0.6865 Remote Similarity NPD6799 Approved
0.6865 Remote Similarity NPD1511 Approved
0.6862 Remote Similarity NPD3455 Phase 2
0.6856 Remote Similarity NPD7199 Phase 2
0.6854 Remote Similarity NPD1240 Approved
0.6853 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6853 Remote Similarity NPD2163 Approved
0.6851 Remote Similarity NPD5408 Approved
0.6851 Remote Similarity NPD5405 Approved
0.6851 Remote Similarity NPD2796 Approved
0.6851 Remote Similarity NPD5406 Approved
0.6851 Remote Similarity NPD5404 Approved
0.6845 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6844 Remote Similarity NPD8067 Phase 3
0.6831 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6828 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6828 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6828 Remote Similarity NPD5401 Approved
0.6812 Remote Similarity NPD4361 Phase 2
0.6812 Remote Similarity NPD4362 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   83845
ChEMBL   CHEMBL3544589
ZINC  

Physicochemical Properties

Molecular Weight:  529.19
ALogP:  -3.9523
MLogP:  3.22
XLogP:  -0.726
# Rotatable Bonds:  13
Polar Surface Area:  189
# H-Bond Aceptor:  8
# H-Bond Donor:  6
# Rings:  5
# Heavy Atoms:  38

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs