Natural Product: NPC147691

Natural Product ID:  NPC147691
Common Name:   Eucalyptin A
IUPAC Name:   3-[[(1aR,4R,4aR,7R,7aS,7bR)-4-hydroxy-1,1,4,7-tetramethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-yl]methyl]-2,4,6-trihydroxy-5-(3-methylbutanoyl)benzaldehyde
Synonyms:   Eucalyptin A
Molecular Formula:   C28H40O6
Standard InCHIKey:  FIAVDQNPFGKTBO-WQHFGFHISA-N
Standard InCHI:  InChI=1S/C28H40O6/c1-14(2)11-19(30)20-24(32)15(23(31)16(13-29)25(20)33)12-27(5)9-7-18-22(27)21-17(26(21,3)4)8-10-28(18,6)34/h13-14,17-18,21-22,31-34H,7-12H2,1-6H3/t17-,18-,21-,22-,27-,28-/m1/s1
Canonical SMILES:  O=Cc1c(O)c(C[C@@]2(C)CC[C@@H]3[C@@H]2[C@H]2[C@H](C2(C)C)CC[C@@]3(C)O)c(c(c1O)C(=O)CC(C)C)O
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
NPO15388 Eucalyptus globulus Species Myrtaceae Eukaryota PMID[22934600]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1337 Individual Protein Hepatocyte growth factor receptor Homo sapiens IC50 > 50000 nM DrugMatrix in vitro pharmacology data
NPT6368 Individual Protein Hepatocyte growth factor receptor Canis familiaris Inhibition = 80 % DrugMatrix in vitro pharmacology data
NPT1337 Individual Protein Hepatocyte growth factor receptor Homo sapiens Inhibition > 50 % 24766560
NPT1337 Individual Protein Hepatocyte growth factor receptor Homo sapiens Inhibition > 50 % 25707014
NPT6368 Individual Protein Hepatocyte growth factor receptor Canis familiaris Inhibition > 50 % 26000707

  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 NPC147691 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
0.9846 High Similarity NPC244640
0.9846 High Similarity NPC279291
0.9621 High Similarity NPC299734
0.9615 High Similarity NPC474109
0.9254 High Similarity NPC474076
0.8923 High Similarity NPC306288
0.8846 High Similarity NPC218333
0.8759 High Similarity NPC474117
0.8759 High Similarity NPC474224
0.8696 High Similarity NPC475917
0.8394 Intermediate Similarity NPC73203
0.8284 Intermediate Similarity NPC66252
0.8284 Intermediate Similarity NPC232708
0.8273 Intermediate Similarity NPC275504
0.8235 Intermediate Similarity NPC475733
0.8194 Intermediate Similarity NPC162939
0.8188 Intermediate Similarity NPC164894
0.8188 Intermediate Similarity NPC475553
0.8175 Intermediate Similarity NPC328983
0.8134 Intermediate Similarity NPC229649
0.8116 Intermediate Similarity NPC316625
0.8116 Intermediate Similarity NPC329205
0.8102 Intermediate Similarity NPC290466
0.8099 Intermediate Similarity NPC475088
0.8099 Intermediate Similarity NPC474519
0.8088 Intermediate Similarity NPC472029
0.8088 Intermediate Similarity NPC65761
0.8074 Intermediate Similarity NPC226275
0.8028 Intermediate Similarity NPC285054
0.8028 Intermediate Similarity NPC103105
0.8015 Intermediate Similarity NPC91105
0.8 Intermediate Similarity NPC476119
0.7986 Intermediate Similarity NPC19432
0.7972 Intermediate Similarity NPC218854
0.7972 Intermediate Similarity NPC52368
0.7941 Intermediate Similarity NPC215392
0.7933 Intermediate Similarity NPC82534
0.7899 Intermediate Similarity NPC12818
0.7881 Intermediate Similarity NPC304351
0.7881 Intermediate Similarity NPC245757
0.7877 Intermediate Similarity NPC473622
0.7872 Intermediate Similarity NPC474998
0.7868 Intermediate Similarity NPC149246
0.7868 Intermediate Similarity NPC146642
0.7857 Intermediate Similarity NPC116513
0.7847 Intermediate Similarity NPC470984
0.7817 Intermediate Similarity NPC62219
0.781 Intermediate Similarity NPC303737
0.7801 Intermediate Similarity NPC470981
0.7801 Intermediate Similarity NPC21305
0.7801 Intermediate Similarity NPC473017
0.78 Intermediate Similarity NPC5990
0.7794 Intermediate Similarity NPC294037
0.7793 Intermediate Similarity NPC278375
0.7786 Intermediate Similarity NPC473691
0.7786 Intermediate Similarity NPC267846
0.7785 Intermediate Similarity NPC285659
0.7785 Intermediate Similarity NPC81337
0.7785 Intermediate Similarity NPC157497
0.7778 Intermediate Similarity NPC40524
0.7778 Intermediate Similarity NPC139074
0.7778 Intermediate Similarity NPC470988
0.7778 Intermediate Similarity NPC213485
0.7762 Intermediate Similarity NPC475042
0.7762 Intermediate Similarity NPC279566
0.7755 Intermediate Similarity NPC477593
0.7755 Intermediate Similarity NPC255801
0.7755 Intermediate Similarity NPC322301
0.7754 Intermediate Similarity NPC309765
0.773 Intermediate Similarity NPC103356
0.773 Intermediate Similarity NPC105157
0.773 Intermediate Similarity NPC23126
0.773 Intermediate Similarity NPC98254
0.773 Intermediate Similarity NPC100067
0.773 Intermediate Similarity NPC190043
0.773 Intermediate Similarity NPC72158
0.773 Intermediate Similarity NPC169250
0.773 Intermediate Similarity NPC266689
0.773 Intermediate Similarity NPC30501
0.773 Intermediate Similarity NPC162612
0.7714 Intermediate Similarity NPC477454
0.7708 Intermediate Similarity NPC185624
0.7708 Intermediate Similarity NPC27490
0.7708 Intermediate Similarity NPC175738
0.7692 Intermediate Similarity NPC470102
0.7692 Intermediate Similarity NPC186628
0.7687 Intermediate Similarity NPC474771
0.7687 Intermediate Similarity NPC149372
0.7687 Intermediate Similarity NPC65837
0.7687 Intermediate Similarity NPC474849
0.7687 Intermediate Similarity NPC222633
0.7687 Intermediate Similarity NPC470985
0.7687 Intermediate Similarity NPC178467
0.7687 Intermediate Similarity NPC470989
0.7676 Intermediate Similarity NPC221777
0.7671 Intermediate Similarity NPC130899
0.7671 Intermediate Similarity NPC61153
0.7671 Intermediate Similarity NPC283590
0.7671 Intermediate Similarity NPC70859
0.7667 Intermediate Similarity NPC111201
0.7667 Intermediate Similarity NPC476508
0.766 Intermediate Similarity NPC473751
0.766 Intermediate Similarity NPC62952
0.7655 Intermediate Similarity NPC37299
0.7655 Intermediate Similarity NPC180261
0.7655 Intermediate Similarity NPC48036
0.7651 Intermediate Similarity NPC270913
0.7647 Intermediate Similarity NPC40649
0.7647 Intermediate Similarity NPC209486
0.7643 Intermediate Similarity NPC470344
0.7639 Intermediate Similarity NPC324482
0.7635 Intermediate Similarity NPC472403
0.7635 Intermediate Similarity NPC475974
0.7619 Intermediate Similarity NPC471690
0.7619 Intermediate Similarity NPC475955
0.7619 Intermediate Similarity NPC191976
0.7619 Intermediate Similarity NPC474726
0.7603 Intermediate Similarity NPC166480
0.7603 Intermediate Similarity NPC282780
0.7603 Intermediate Similarity NPC16197
0.76 Intermediate Similarity NPC11056
0.76 Intermediate Similarity NPC289660
0.76 Intermediate Similarity NPC82920
0.76 Intermediate Similarity NPC164697
0.76 Intermediate Similarity NPC477272
0.76 Intermediate Similarity NPC92079
0.7584 Intermediate Similarity NPC477056
0.7584 Intermediate Similarity NPC471620
0.7584 Intermediate Similarity NPC477055
0.7574 Intermediate Similarity NPC174087
0.7574 Intermediate Similarity NPC230349
0.7569 Intermediate Similarity NPC259942
0.7569 Intermediate Similarity NPC247477
0.7569 Intermediate Similarity NPC470987
0.7569 Intermediate Similarity NPC84772
0.7569 Intermediate Similarity NPC17840
0.7569 Intermediate Similarity NPC21378
0.7569 Intermediate Similarity NPC296158
0.7568 Intermediate Similarity NPC53001
0.7568 Intermediate Similarity NPC245058
0.7568 Intermediate Similarity NPC156910
0.7568 Intermediate Similarity NPC477592
0.7568 Intermediate Similarity NPC194579
0.7566 Intermediate Similarity NPC172182
0.7566 Intermediate Similarity NPC262935
0.7566 Intermediate Similarity NPC251182
0.7552 Intermediate Similarity NPC41263
0.7551 Intermediate Similarity NPC470210
0.7551 Intermediate Similarity NPC290803
0.7551 Intermediate Similarity NPC477596
0.755 Intermediate Similarity NPC193555
0.755 Intermediate Similarity NPC474961
0.755 Intermediate Similarity NPC73061
0.755 Intermediate Similarity NPC74397
0.7534 Intermediate Similarity NPC215875
0.7534 Intermediate Similarity NPC15834
0.7533 Intermediate Similarity NPC99441
0.7533 Intermediate Similarity NPC470986
0.7517 Intermediate Similarity NPC87723
0.7517 Intermediate Similarity NPC177307
0.7517 Intermediate Similarity NPC9121
0.7517 Intermediate Similarity NPC250057
0.7516 Intermediate Similarity NPC117716
0.7516 Intermediate Similarity NPC12402
0.7516 Intermediate Similarity NPC470673
0.7516 Intermediate Similarity NPC476055
0.7516 Intermediate Similarity NPC470674
0.75 Intermediate Similarity NPC84699
0.75 Intermediate Similarity NPC92624
0.75 Intermediate Similarity NPC472344
0.75 Intermediate Similarity NPC156967
0.75 Intermediate Similarity NPC297600
0.75 Intermediate Similarity NPC476509
0.75 Intermediate Similarity NPC354984
0.75 Intermediate Similarity NPC101752
0.75 Intermediate Similarity NPC325346
0.75 Intermediate Similarity NPC230818
0.75 Intermediate Similarity NPC276565
0.75 Intermediate Similarity NPC472599
0.75 Intermediate Similarity NPC86524
0.7484 Intermediate Similarity NPC25850
0.7484 Intermediate Similarity NPC276815
0.7483 Intermediate Similarity NPC307990
0.7483 Intermediate Similarity NPC313123
0.7483 Intermediate Similarity NPC270899
0.7483 Intermediate Similarity NPC478217
0.7483 Intermediate Similarity NPC474394
0.7483 Intermediate Similarity NPC187843
0.7483 Intermediate Similarity NPC477594
0.7483 Intermediate Similarity NPC469818
0.7483 Intermediate Similarity NPC471587
0.7483 Intermediate Similarity NPC83572
0.7483 Intermediate Similarity NPC37530
0.7483 Intermediate Similarity NPC16455
0.7483 Intermediate Similarity NPC472603
0.7468 Intermediate Similarity NPC476153
0.7468 Intermediate Similarity NPC2416
0.7468 Intermediate Similarity NPC476535
0.7468 Intermediate Similarity NPC215885
0.7468 Intermediate Similarity NPC143685

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC147691 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
0.7972 Intermediate Similarity NPD6651 Approved
0.7533 Intermediate Similarity NPD2800 Approved
0.7312 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.729 Intermediate Similarity NPD2534 Approved
0.729 Intermediate Similarity NPD2533 Approved
0.729 Intermediate Similarity NPD2532 Approved
0.7267 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7214 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD7390 Discontinued
0.707 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD1510 Phase 2
0.7 Intermediate Similarity NPD1240 Approved
0.7 Intermediate Similarity NPD943 Approved
0.6962 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6928 Remote Similarity NPD651 Clinical (unspecified phase)
0.6914 Remote Similarity NPD7411 Suspended
0.6908 Remote Similarity NPD1607 Approved
0.6903 Remote Similarity NPD970 Clinical (unspecified phase)
0.6852 Remote Similarity NPD4380 Phase 2
0.6839 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6839 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6829 Remote Similarity NPD7819 Suspended
0.6829 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6807 Remote Similarity NPD7075 Discontinued
0.6795 Remote Similarity NPD1549 Phase 2
0.6765 Remote Similarity NPD7852 Clinical (unspecified phase)
0.675 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6727 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6686 Remote Similarity NPD6959 Discontinued
0.6667 Remote Similarity NPD5405 Approved
0.6667 Remote Similarity NPD920 Approved
0.6667 Remote Similarity NPD5404 Approved
0.6667 Remote Similarity NPD2796 Approved
0.6667 Remote Similarity NPD5406 Approved
0.6667 Remote Similarity NPD5408 Approved
0.6647 Remote Similarity NPD7768 Phase 2
0.6647 Remote Similarity NPD5710 Approved
0.6647 Remote Similarity NPD5711 Approved
0.6646 Remote Similarity NPD6599 Discontinued
0.6644 Remote Similarity NPD1164 Approved
0.6628 Remote Similarity NPD7473 Discontinued
0.6604 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6599 Remote Similarity NPD1201 Approved
0.6587 Remote Similarity NPD8438 Clinical (unspecified phase)
0.6575 Remote Similarity NPD2932 Approved
0.6575 Remote Similarity NPD3019 Approved
0.6566 Remote Similarity NPD6801 Discontinued
0.6566 Remote Similarity NPD1934 Approved
0.6561 Remote Similarity NPD6099 Approved
0.6561 Remote Similarity NPD2935 Discontinued
0.6561 Remote Similarity NPD6100 Approved
0.6548 Remote Similarity NPD3882 Suspended
0.6541 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6533 Remote Similarity NPD1470 Approved
0.6522 Remote Similarity NPD643 Clinical (unspecified phase)
0.65 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6497 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6497 Remote Similarity NPD2799 Discontinued
0.6481 Remote Similarity NPD6799 Approved
0.6457 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6456 Remote Similarity NPD1551 Phase 2
0.6453 Remote Similarity NPD6232 Discontinued
0.6442 Remote Similarity NPD642 Clinical (unspecified phase)
0.6438 Remote Similarity NPD1243 Approved
0.6438 Remote Similarity NPD2654 Approved
0.6433 Remote Similarity NPD5494 Approved
0.6429 Remote Similarity NPD5761 Phase 2
0.6429 Remote Similarity NPD5760 Phase 2
0.6429 Remote Similarity NPD2801 Approved
0.6414 Remote Similarity NPD9493 Approved
0.6412 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6412 Remote Similarity NPD3749 Approved
0.641 Remote Similarity NPD230 Phase 1
0.6395 Remote Similarity NPD1247 Approved
0.6386 Remote Similarity NPD7458 Discontinued
0.638 Remote Similarity NPD1511 Approved
0.6374 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6364 Remote Similarity NPD7286 Phase 2
0.635 Remote Similarity NPD846 Approved
0.635 Remote Similarity NPD940 Approved
0.6348 Remote Similarity NPD6559 Discontinued
0.6333 Remote Similarity NPD9269 Phase 2
0.6327 Remote Similarity NPD9545 Approved
0.6323 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6312 Remote Similarity NPD2344 Approved
0.6312 Remote Similarity NPD74 Approved
0.6312 Remote Similarity NPD9266 Approved
0.6303 Remote Similarity NPD1512 Approved
0.6301 Remote Similarity NPD405 Clinical (unspecified phase)
0.6296 Remote Similarity NPD3750 Approved
0.6294 Remote Similarity NPD6124 Clinical (unspecified phase)
0.6292 Remote Similarity NPD5953 Discontinued
0.6286 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6286 Remote Similarity NPD2403 Approved
0.6286 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6286 Remote Similarity NPD6166 Phase 2
0.6284 Remote Similarity NPD9268 Approved
0.6282 Remote Similarity NPD6663 Approved
0.6279 Remote Similarity NPD919 Approved
0.6271 Remote Similarity NPD6020 Phase 2
0.6268 Remote Similarity NPD4750 Phase 3
0.6241 Remote Similarity NPD9264 Approved
0.6241 Remote Similarity NPD9263 Approved
0.6241 Remote Similarity NPD9267 Approved
0.6241 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6236 Remote Similarity NPD7074 Phase 3
0.6234 Remote Similarity NPD5736 Approved
0.6222 Remote Similarity NPD1809 Phase 2
0.622 Remote Similarity NPD3300 Phase 2
0.622 Remote Similarity NPD7236 Approved
0.6215 Remote Similarity NPD3818 Discontinued
0.6207 Remote Similarity NPD7159 Clinical (unspecified phase)
0.6203 Remote Similarity NPD5124 Phase 1
0.6203 Remote Similarity NPD5123 Clinical (unspecified phase)
0.62 Remote Similarity NPD3026 Approved
0.62 Remote Similarity NPD3023 Approved
0.6199 Remote Similarity NPD3817 Phase 2
0.6196 Remote Similarity NPD4628 Phase 3
0.6188 Remote Similarity NPD3299 Clinical (unspecified phase)
0.618 Remote Similarity NPD7054 Approved
0.6175 Remote Similarity NPD8434 Phase 2
0.6174 Remote Similarity NPD3024 Approved
0.6174 Remote Similarity NPD3025 Approved
0.6169 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6169 Remote Similarity NPD2798 Approved
0.6159 Remote Similarity NPD2309 Approved
0.6145 Remote Similarity NPD7472 Approved
0.6145 Remote Similarity NPD1729 Discontinued
0.6144 Remote Similarity NPD1876 Approved
0.6118 Remote Similarity NPD3972 Approved
0.6117 Remote Similarity NPD4362 Clinical (unspecified phase)
0.6117 Remote Similarity NPD4361 Phase 2
0.6115 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6115 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6115 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6115 Remote Similarity NPD3764 Approved
0.6115 Remote Similarity NPD3268 Approved
0.6111 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6111 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6111 Remote Similarity NPD6002 Phase 3
0.6111 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6111 Remote Similarity NPD6004 Phase 3
0.6111 Remote Similarity NPD6005 Phase 3
0.6098 Remote Similarity NPD7003 Approved
0.6095 Remote Similarity NPD3226 Approved
0.6084 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6077 Remote Similarity NPD7251 Discontinued
0.6077 Remote Similarity NPD6104 Discontinued
0.6073 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6069 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6065 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6064 Remote Similarity NPD4360 Phase 2
0.6064 Remote Similarity NPD4363 Phase 3
0.6054 Remote Similarity NPD9281 Approved
0.6048 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6044 Remote Similarity NPD7808 Phase 3
0.6036 Remote Similarity NPD7239 Suspended
0.6026 Remote Similarity NPD4208 Discontinued
0.6026 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6023 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6022 Remote Similarity NPD6797 Phase 2
0.6013 Remote Similarity NPD9717 Approved
0.6013 Remote Similarity NPD2313 Discontinued
0.6 Remote Similarity NPD3091 Approved
0.6 Remote Similarity NPD5844 Phase 1
0.6 Remote Similarity NPD8150 Discontinued
0.6 Remote Similarity NPD3094 Phase 2
0.6 Remote Similarity NPD8166 Discontinued
0.6 Remote Similarity NPD7741 Discontinued
0.6 Remote Similarity NPD3400 Discontinued
0.5988 Remote Similarity NPD7033 Discontinued
0.5988 Remote Similarity NPD3748 Approved
0.5987 Remote Similarity NPD4908 Phase 1
0.5987 Remote Similarity NPD6832 Phase 2
0.5987 Remote Similarity NPD4207 Discontinued
0.5976 Remote Similarity NPD5403 Approved
0.5957 Remote Similarity NPD7879 Clinical (unspecified phase)
0.5957 Remote Similarity NPD9261 Approved
0.5956 Remote Similarity NPD845 Approved
0.5955 Remote Similarity NPD3926 Phase 2
0.5948 Remote Similarity NPD3092 Approved
0.5944 Remote Similarity NPD7893 Clinical (unspecified phase)
0.5933 Remote Similarity NPD7610 Discontinued
0.5932 Remote Similarity NPD7199 Phase 2
0.5924 Remote Similarity NPD9494 Approved
0.5921 Remote Similarity NPD4059 Approved
0.5917 Remote Similarity NPD6273 Approved
0.5915 Remote Similarity NPD2346 Discontinued
0.5912 Remote Similarity NPD1432 Clinical (unspecified phase)
0.5902 Remote Similarity NPD3658 Clinical (unspecified phase)
0.5901 Remote Similarity NPD6355 Discontinued
0.5899 Remote Similarity NPD7229 Phase 3
0.5897 Remote Similarity NPD1203 Approved
0.5882 Remote Similarity NPD6980 Clinical (unspecified phase)
0.5875 Remote Similarity NPD520 Approved
0.5871 Remote Similarity NPD1755 Approved
0.587 Remote Similarity NPD4338 Clinical (unspecified phase)
0.5868 Remote Similarity NPD7910 Clinical (unspecified phase)
0.5866 Remote Similarity NPD7184 Clinical (unspecified phase)
0.586 Remote Similarity NPD5740 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   70678116
ChEMBL   CHEMBL2171206
ZINC  

Physicochemical Properties

Molecular Weight:  472.28
ALogP:  0.3345
MLogP:  3.88
XLogP:  6.993
# Rotatable Bonds:  16
Polar Surface Area:  115.06
# H-Bond Aceptor:  3
# H-Bond Donor:  4
# Rings:  4
# Heavy Atoms:  34

Download Data

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Biological Activities  
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