Natural Product: NPC198163

Natural Product ID:  NPC198163
Common Name:   Mollicellin E
IUPAC Name:   8-chloro-4,9-dihydroxy-3-methoxy-1,7-dimethyl-2-(3-methylbut-2-enoyl)-6-oxobenzo[b][1,4]benzodioxepine-10-carbaldehyde
Synonyms:   Mollicellin E
Molecular Formula:   C22H19ClO8
Standard InCHIKey:  JTGLZOMMRQOKBM-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C22H19ClO8/c1-8(2)6-12(25)13-10(4)18-21(17(27)20(13)29-5)31-22(28)14-9(3)15(23)16(26)11(7-24)19(14)30-18/h6-7,26-27H,1-5H3
Canonical SMILES:  COc1c(O)c2OC(=O)c3c(Oc2c(c1C(=O)C=C(C)C)C)c(C=O)c(c(c3C)Cl)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
NPO30621 Chaetomium brasiliense Species Chaetomiaceae Eukaryota Doi Inthanon, Jomtong District, Chiangmai Province, Thailand 2006-JUN PMID[19663417]
NPO30621 Chaetomium brasiliense Species Chaetomiaceae Eukaryota PMID[19663417]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 4.83 ug/ml 19663417
NPT2 Others Unspecified IC50 = 5.03 ug/ml 19663417
NPT2 Others Unspecified IC50 = 5.22 ug/ml 19663417
NPT2 Others Unspecified IC50 = 4.44 ug/ml 19663417
NPT2 Others Unspecified IC50 = 7.81 ug/ml 19663417
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 IC50 = 3.2 ug/ml 19663417
NPT20 Organism Candida albicans Candida albicans IC50 = 39.7 ug/ml 19663417
NPT639 Cell Line NCI-H187 Homo sapiens IC50 = 1 ug/ml 19663417

  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 NPC198163 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
0.9667 High Similarity NPC193676
0.9556 High Similarity NPC214901
0.95 High Similarity NPC220369
0.9454 High Similarity NPC154720
0.9 High Similarity NPC471801
0.8833 High Similarity NPC139350
0.871 High Similarity NPC471804
0.871 High Similarity NPC471812
0.871 High Similarity NPC471803
0.8689 High Similarity NPC113446
0.8667 High Similarity NPC20543
0.8667 High Similarity NPC239440
0.8667 High Similarity NPC246716
0.8634 High Similarity NPC471802
0.8626 High Similarity NPC477568
0.8619 High Similarity NPC188618
0.8617 High Similarity NPC471806
0.8617 High Similarity NPC471810
0.8617 High Similarity NPC471807
0.8611 High Similarity NPC26568
0.8602 High Similarity NPC471811
0.8602 High Similarity NPC471809
0.8571 High Similarity NPC181523
0.8564 High Similarity NPC121100
0.8564 High Similarity NPC1827
0.8564 High Similarity NPC471805
0.8564 High Similarity NPC39409
0.8564 High Similarity NPC471813
0.8564 High Similarity NPC10576
0.8556 High Similarity NPC272485
0.8556 High Similarity NPC292788
0.8548 High Similarity NPC471808
0.8548 High Similarity NPC195675
0.8548 High Similarity NPC471814
0.8525 High Similarity NPC289147
0.8478 Intermediate Similarity NPC45072
0.8478 Intermediate Similarity NPC108278
0.8432 Intermediate Similarity NPC28160
0.8398 Intermediate Similarity NPC20216
0.8389 Intermediate Similarity NPC156082
0.8361 Intermediate Similarity NPC17219
0.8361 Intermediate Similarity NPC124470
0.8361 Intermediate Similarity NPC109827
0.8343 Intermediate Similarity NPC112981
0.8343 Intermediate Similarity NPC8070
0.8315 Intermediate Similarity NPC158226
0.8315 Intermediate Similarity NPC474857
0.8289 Intermediate Similarity NPC240887
0.8289 Intermediate Similarity NPC329161
0.8289 Intermediate Similarity NPC470091
0.828 Intermediate Similarity NPC175804
0.827 Intermediate Similarity NPC470422
0.8242 Intermediate Similarity NPC267153
0.8232 Intermediate Similarity NPC93739
0.8226 Intermediate Similarity NPC264922
0.8222 Intermediate Similarity NPC143050
0.8207 Intermediate Similarity NPC163130
0.8207 Intermediate Similarity NPC49487
0.8207 Intermediate Similarity NPC99613
0.8207 Intermediate Similarity NPC165979
0.8187 Intermediate Similarity NPC300984
0.8187 Intermediate Similarity NPC284007
0.8187 Intermediate Similarity NPC474350
0.8167 Intermediate Similarity NPC168616
0.8167 Intermediate Similarity NPC83763
0.8167 Intermediate Similarity NPC238381
0.8162 Intermediate Similarity NPC277865
0.8152 Intermediate Similarity NPC472032
0.8144 Intermediate Similarity NPC247104
0.8098 Intermediate Similarity NPC29160
0.8093 Intermediate Similarity NPC221185
0.8087 Intermediate Similarity NPC236132
0.8087 Intermediate Similarity NPC270837
0.8077 Intermediate Similarity NPC303565
0.8073 Intermediate Similarity NPC474499
0.8061 Intermediate Similarity NPC313541
0.8056 Intermediate Similarity NPC54928
0.8054 Intermediate Similarity NPC234331
0.8033 Intermediate Similarity NPC294965
0.8031 Intermediate Similarity NPC316091
0.803 Intermediate Similarity NPC108744
0.8022 Intermediate Similarity NPC14353
0.8022 Intermediate Similarity NPC56085
0.8022 Intermediate Similarity NPC200594
0.8022 Intermediate Similarity NPC228785
0.8021 Intermediate Similarity NPC191606
0.8 Intermediate Similarity NPC89625
0.8 Intermediate Similarity NPC471800
0.8 Intermediate Similarity NPC149618
0.799 Intermediate Similarity NPC470099
0.799 Intermediate Similarity NPC470100
0.7989 Intermediate Similarity NPC470081
0.7989 Intermediate Similarity NPC234004
0.7989 Intermediate Similarity NPC29055
0.7989 Intermediate Similarity NPC197168
0.7989 Intermediate Similarity NPC7483
0.7978 Intermediate Similarity NPC61010
0.7978 Intermediate Similarity NPC66288
0.7978 Intermediate Similarity NPC40491
0.7978 Intermediate Similarity NPC278052
0.7967 Intermediate Similarity NPC45846
0.7967 Intermediate Similarity NPC100123
0.7967 Intermediate Similarity NPC315157
0.7958 Intermediate Similarity NPC151292
0.7956 Intermediate Similarity NPC472456
0.7956 Intermediate Similarity NPC280497
0.7956 Intermediate Similarity NPC197751
0.7947 Intermediate Similarity NPC207467
0.7946 Intermediate Similarity NPC25361
0.7946 Intermediate Similarity NPC326520
0.7935 Intermediate Similarity NPC245122
0.7935 Intermediate Similarity NPC474096
0.7935 Intermediate Similarity NPC108767
0.7935 Intermediate Similarity NPC144843
0.7935 Intermediate Similarity NPC8300
0.7923 Intermediate Similarity NPC474287
0.7923 Intermediate Similarity NPC320359
0.7923 Intermediate Similarity NPC475886
0.7923 Intermediate Similarity NPC119224
0.7919 Intermediate Similarity NPC48822
0.7912 Intermediate Similarity NPC300727
0.7912 Intermediate Similarity NPC241904
0.7912 Intermediate Similarity NPC165977
0.7912 Intermediate Similarity NPC217677
0.791 Intermediate Similarity NPC477569
0.7906 Intermediate Similarity NPC473785
0.7903 Intermediate Similarity NPC170245
0.7903 Intermediate Similarity NPC472452
0.7903 Intermediate Similarity NPC37870
0.7901 Intermediate Similarity NPC16286
0.7892 Intermediate Similarity NPC475055
0.7892 Intermediate Similarity NPC248638
0.7892 Intermediate Similarity NPC101769
0.7892 Intermediate Similarity NPC152659
0.7892 Intermediate Similarity NPC220313
0.7892 Intermediate Similarity NPC236521
0.7892 Intermediate Similarity NPC41301
0.7889 Intermediate Similarity NPC289968
0.788 Intermediate Similarity NPC474186
0.788 Intermediate Similarity NPC474187
0.788 Intermediate Similarity NPC472405
0.788 Intermediate Similarity NPC475883
0.788 Intermediate Similarity NPC266314
0.788 Intermediate Similarity NPC474351
0.788 Intermediate Similarity NPC298401
0.7876 Intermediate Similarity NPC99937
0.7872 Intermediate Similarity NPC470565
0.7872 Intermediate Similarity NPC470562
0.7869 Intermediate Similarity NPC250214
0.7869 Intermediate Similarity NPC476242
0.7869 Intermediate Similarity NPC85121
0.7869 Intermediate Similarity NPC95936
0.7861 Intermediate Similarity NPC474024
0.7861 Intermediate Similarity NPC117854
0.7861 Intermediate Similarity NPC6588
0.7861 Intermediate Similarity NPC477154
0.7857 Intermediate Similarity NPC274730
0.7857 Intermediate Similarity NPC142339
0.7849 Intermediate Similarity NPC85057
0.7849 Intermediate Similarity NPC239752
0.7849 Intermediate Similarity NPC275780
0.7849 Intermediate Similarity NPC173352
0.7849 Intermediate Similarity NPC58653
0.7849 Intermediate Similarity NPC327652
0.7849 Intermediate Similarity NPC130920
0.7849 Intermediate Similarity NPC472450
0.7846 Intermediate Similarity NPC313386
0.7842 Intermediate Similarity NPC245975
0.7838 Intermediate Similarity NPC473696
0.7838 Intermediate Similarity NPC25152
0.7838 Intermediate Similarity NPC470694
0.7833 Intermediate Similarity NPC133856
0.7831 Intermediate Similarity NPC470560
0.7826 Intermediate Similarity NPC36217
0.7826 Intermediate Similarity NPC47623
0.7826 Intermediate Similarity NPC84571
0.7821 Intermediate Similarity NPC477567
0.7821 Intermediate Similarity NPC477566
0.7814 Intermediate Similarity NPC223787
0.7814 Intermediate Similarity NPC36852
0.7814 Intermediate Similarity NPC78225
0.7814 Intermediate Similarity NPC302258
0.7814 Intermediate Similarity NPC262286
0.7814 Intermediate Similarity NPC469584
0.7814 Intermediate Similarity NPC236796
0.7812 Intermediate Similarity NPC306240
0.7809 Intermediate Similarity NPC251188
0.7807 Intermediate Similarity NPC28669
0.7807 Intermediate Similarity NPC39091
0.7807 Intermediate Similarity NPC43319
0.7807 Intermediate Similarity NPC329119
0.7806 Intermediate Similarity NPC295436
0.7796 Intermediate Similarity NPC173587
0.7796 Intermediate Similarity NPC23298
0.7796 Intermediate Similarity NPC477689
0.7796 Intermediate Similarity NPC317781
0.7796 Intermediate Similarity NPC207690
0.7796 Intermediate Similarity NPC475985
0.7796 Intermediate Similarity NPC470459
0.7796 Intermediate Similarity NPC189473

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC198163 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
0.7742 Intermediate Similarity NPD6232 Discontinued
0.7713 Intermediate Similarity NPD7473 Discontinued
0.765 Intermediate Similarity NPD2801 Approved
0.7632 Intermediate Similarity NPD5844 Phase 1
0.7598 Intermediate Similarity NPD2534 Approved
0.7598 Intermediate Similarity NPD2533 Approved
0.7598 Intermediate Similarity NPD2532 Approved
0.7554 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD1934 Approved
0.7474 Intermediate Similarity NPD2403 Approved
0.7419 Intermediate Similarity NPD3817 Phase 2
0.7385 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.738 Intermediate Similarity NPD3882 Suspended
0.738 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7366 Intermediate Similarity NPD1465 Phase 2
0.7366 Intermediate Similarity NPD7819 Suspended
0.7337 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7306 Intermediate Similarity NPD3818 Discontinued
0.7292 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7292 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7292 Intermediate Similarity NPD6166 Phase 2
0.7263 Intermediate Similarity NPD5494 Approved
0.7249 Intermediate Similarity NPD7075 Discontinued
0.7231 Intermediate Similarity NPD7074 Phase 3
0.7225 Intermediate Similarity NPD6959 Discontinued
0.7179 Intermediate Similarity NPD7054 Approved
0.7174 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.7158 Intermediate Similarity NPD1511 Approved
0.7157 Intermediate Similarity NPD6559 Discontinued
0.7151 Intermediate Similarity NPD3226 Approved
0.7143 Intermediate Similarity NPD7472 Approved
0.7135 Intermediate Similarity NPD1247 Approved
0.712 Intermediate Similarity NPD919 Approved
0.7112 Intermediate Similarity NPD6599 Discontinued
0.7107 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7098 Intermediate Similarity NPD5711 Approved
0.7098 Intermediate Similarity NPD5710 Approved
0.709 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD1512 Approved
0.7074 Intermediate Similarity NPD7411 Suspended
0.7037 Intermediate Similarity NPD6801 Discontinued
0.7031 Intermediate Similarity NPD6234 Discontinued
0.7027 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD4380 Phase 2
0.702 Intermediate Similarity NPD6797 Phase 2
0.701 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7005 Intermediate Similarity NPD2370 Clinical (unspecified phase)
0.6985 Remote Similarity NPD7251 Discontinued
0.6978 Remote Similarity NPD970 Clinical (unspecified phase)
0.6973 Remote Similarity NPD6799 Approved
0.6963 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6963 Remote Similarity NPD5402 Approved
0.695 Remote Similarity NPD7808 Phase 3
0.694 Remote Similarity NPD2800 Approved
0.6939 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6891 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6868 Remote Similarity NPD2935 Discontinued
0.6868 Remote Similarity NPD1551 Phase 2
0.6862 Remote Similarity NPD920 Approved
0.686 Remote Similarity NPD4363 Phase 3
0.686 Remote Similarity NPD4360 Phase 2
0.6859 Remote Similarity NPD37 Approved
0.6847 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6845 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6845 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6839 Remote Similarity NPD4965 Approved
0.6839 Remote Similarity NPD4967 Phase 2
0.6839 Remote Similarity NPD4966 Approved
0.6834 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6831 Remote Similarity NPD2346 Discontinued
0.6814 Remote Similarity NPD8434 Phase 2
0.6804 Remote Similarity NPD3749 Approved
0.6786 Remote Similarity NPD7199 Phase 2
0.6784 Remote Similarity NPD7228 Approved
0.6777 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6755 Remote Similarity NPD642 Clinical (unspecified phase)
0.6753 Remote Similarity NPD7768 Phase 2
0.6749 Remote Similarity NPD8312 Approved
0.6749 Remote Similarity NPD8313 Approved
0.6746 Remote Similarity NPD4361 Phase 2
0.6746 Remote Similarity NPD4362 Clinical (unspecified phase)
0.674 Remote Similarity NPD230 Phase 1
0.6739 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6739 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6721 Remote Similarity NPD2799 Discontinued
0.672 Remote Similarity NPD4628 Phase 3
0.672 Remote Similarity NPD3750 Approved
0.6717 Remote Similarity NPD3926 Phase 2
0.6717 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6703 Remote Similarity NPD1607 Approved
0.6703 Remote Similarity NPD1549 Phase 2
0.6697 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6697 Remote Similarity NPD7783 Phase 2
0.6683 Remote Similarity NPD5953 Discontinued
0.6682 Remote Similarity NPD8151 Discontinued
0.6682 Remote Similarity NPD7435 Discontinued
0.6667 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7421 Clinical (unspecified phase)
0.665 Remote Similarity NPD8150 Discontinued
0.6649 Remote Similarity NPD643 Clinical (unspecified phase)
0.6648 Remote Similarity NPD447 Suspended
0.663 Remote Similarity NPD1510 Phase 2
0.663 Remote Similarity NPD1509 Clinical (unspecified phase)
0.662 Remote Similarity NPD6779 Approved
0.662 Remote Similarity NPD6777 Approved
0.662 Remote Similarity NPD6782 Approved
0.662 Remote Similarity NPD6776 Approved
0.662 Remote Similarity NPD6781 Approved
0.662 Remote Similarity NPD6778 Approved
0.662 Remote Similarity NPD6780 Approved
0.6614 Remote Similarity NPD7390 Discontinued
0.6612 Remote Similarity NPD6651 Approved
0.6597 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6597 Remote Similarity NPD5403 Approved
0.6595 Remote Similarity NPD2796 Approved
0.6593 Remote Similarity NPD943 Approved
0.6593 Remote Similarity NPD1240 Approved
0.6584 Remote Similarity NPD7286 Phase 2
0.6579 Remote Similarity NPD1578 Phase 2
0.6578 Remote Similarity NPD1243 Approved
0.6562 Remote Similarity NPD1653 Approved
0.6546 Remote Similarity NPD958 Approved
0.6541 Remote Similarity NPD651 Clinical (unspecified phase)
0.6508 Remote Similarity NPD2354 Approved
0.65 Remote Similarity NPD7874 Approved
0.65 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6492 Remote Similarity NPD5401 Approved
0.6484 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6462 Remote Similarity NPD6534 Approved
0.6462 Remote Similarity NPD6535 Approved
0.6455 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6455 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6453 Remote Similarity NPD3751 Discontinued
0.6452 Remote Similarity NPD7696 Phase 3
0.6452 Remote Similarity NPD7697 Approved
0.6452 Remote Similarity NPD7698 Approved
0.6452 Remote Similarity NPD3748 Approved
0.6447 Remote Similarity NPD8438 Clinical (unspecified phase)
0.6442 Remote Similarity NPD6785 Approved
0.6442 Remote Similarity NPD6784 Approved
0.6422 Remote Similarity NPD7871 Phase 2
0.6422 Remote Similarity NPD7870 Phase 2
0.6421 Remote Similarity NPD6190 Approved
0.6421 Remote Similarity NPD3887 Approved
0.6418 Remote Similarity NPD3787 Discontinued
0.6418 Remote Similarity NPD7229 Phase 3
0.6417 Remote Similarity NPD6100 Approved
0.6417 Remote Similarity NPD6099 Approved
0.6409 Remote Similarity NPD7701 Phase 2
0.6408 Remote Similarity NPD7240 Approved
0.6406 Remote Similarity NPD6823 Phase 2
0.6393 Remote Similarity NPD2313 Discontinued
0.6392 Remote Similarity NPD957 Approved
0.6386 Remote Similarity NPD5242 Approved
0.6372 Remote Similarity NPD7700 Phase 2
0.6372 Remote Similarity NPD7699 Phase 2
0.6364 Remote Similarity NPD2379 Clinical (unspecified phase)
0.6359 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6354 Remote Similarity NPD6143 Clinical (unspecified phase)
0.635 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6345 Remote Similarity NPD1852 Discontinued
0.6343 Remote Similarity NPD8285 Discontinued
0.6339 Remote Similarity NPD3027 Phase 3
0.633 Remote Similarity NPD5405 Approved
0.633 Remote Similarity NPD5404 Approved
0.633 Remote Similarity NPD5408 Approved
0.633 Remote Similarity NPD5406 Approved
0.6329 Remote Similarity NPD7685 Pre-registration
0.6327 Remote Similarity NPD4972 Discontinued
0.6326 Remote Similarity NPD8090 Clinical (unspecified phase)
0.6324 Remote Similarity NPD1613 Approved
0.6324 Remote Similarity NPD4060 Phase 1
0.6324 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6323 Remote Similarity NPD7801 Approved
0.6319 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6319 Remote Similarity NPD9494 Approved
0.6316 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6316 Remote Similarity NPD6674 Discontinued
0.6304 Remote Similarity NPD7985 Registered
0.6298 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6296 Remote Similarity NPD2353 Approved
0.6296 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6296 Remote Similarity NPD2355 Clinical (unspecified phase)
0.629 Remote Similarity NPD1184 Approved
0.6287 Remote Similarity NPD8127 Discontinued
0.6284 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6284 Remote Similarity NPD6832 Phase 2
0.6276 Remote Similarity NPD7458 Discontinued
0.6263 Remote Similarity NPD4534 Discontinued
0.6262 Remote Similarity NPD6212 Phase 3
0.6262 Remote Similarity NPD6213 Phase 3
0.6262 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6237 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6233 Remote Similarity NPD6312 Discontinued
0.623 Remote Similarity NPD454 Approved
0.6223 Remote Similarity NPD4536 Approved
0.6223 Remote Similarity NPD4538 Approved
0.6223 Remote Similarity NPD4537 Clinical (unspecified phase)
0.6217 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6217 Remote Similarity NPD7907 Approved

Structure

External Identifiers

PubChem CID   50201
ChEMBL   CHEMBL1081162
ZINC  

Physicochemical Properties

Molecular Weight:  446.08
ALogP:  1.804
MLogP:  2.89
XLogP:  2.739
# Rotatable Bonds:  12
Polar Surface Area:  119.36
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  31

Download Data

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Biological Activities  
Similar NPs/Drugs