Drug Information

Drug ID:  NPD1940
Drug Name:  
Molecular Formula:  C16H15ClO6
Canonical SMILES:  COc1c(OC)c(OC(=O)C)c2c(c1OC(=O)C)ccc(c2)Cl
Standard InCHI:  InChI=1S/C16H15ClO6/c1-8(18)22-13-11-6-5-10(17)7-12(11)14(23-9(2)19)16(21-4)15(13)20-3/h5-7H,1-4H3
Standard InCHIKey:  IFWMVQUGSGWCRP-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1940

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
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
Intermediate Similarity 0.8472 NPC474600
Intermediate Similarity 0.8414 NPC234865
Intermediate Similarity 0.8356 NPC286843
Intermediate Similarity 0.8322 NPC476399
Intermediate Similarity 0.831 NPC474651
Intermediate Similarity 0.831 NPC474623
Intermediate Similarity 0.8239 NPC474670
Intermediate Similarity 0.8207 NPC319969
Intermediate Similarity 0.8194 NPC244799
Intermediate Similarity 0.8194 NPC240722
Intermediate Similarity 0.8182 NPC210674
Intermediate Similarity 0.8163 NPC224941
Intermediate Similarity 0.8163 NPC311430
Intermediate Similarity 0.8151 NPC233018
Intermediate Similarity 0.8151 NPC36437
Intermediate Similarity 0.8151 NPC241341
Intermediate Similarity 0.8125 NPC27239
Intermediate Similarity 0.8125 NPC123127
Intermediate Similarity 0.8112 NPC474821
Intermediate Similarity 0.8082 NPC137669
Intermediate Similarity 0.8069 NPC307042
Intermediate Similarity 0.8069 NPC79184
Intermediate Similarity 0.8056 NPC474616
Intermediate Similarity 0.8054 NPC865
Intermediate Similarity 0.8052 NPC178129
Intermediate Similarity 0.8042 NPC474632
Intermediate Similarity 0.8039 NPC125617
Intermediate Similarity 0.8036 NPC471802
Intermediate Similarity 0.8027 NPC472522
Intermediate Similarity 0.8026 NPC110067
Intermediate Similarity 0.8026 NPC34245
Intermediate Similarity 0.8026 NPC6568
Intermediate Similarity 0.8026 NPC91492
Intermediate Similarity 0.8026 NPC256555
Intermediate Similarity 0.8026 NPC7439
Intermediate Similarity 0.7986 NPC194841
Intermediate Similarity 0.7973 NPC309953
Intermediate Similarity 0.7945 NPC474617
Intermediate Similarity 0.7945 NPC19242
Intermediate Similarity 0.7935 NPC275125
Intermediate Similarity 0.7935 NPC183083
Intermediate Similarity 0.7935 NPC170239
Intermediate Similarity 0.7935 NPC97937
Intermediate Similarity 0.7935 NPC137352
Intermediate Similarity 0.7933 NPC474540
Intermediate Similarity 0.7933 NPC105493
Intermediate Similarity 0.7933 NPC474521
Intermediate Similarity 0.7933 NPC474530
Intermediate Similarity 0.7931 NPC474636
Intermediate Similarity 0.7919 NPC73071
Intermediate Similarity 0.7885 NPC477879
Intermediate Similarity 0.7881 NPC270256
Intermediate Similarity 0.7881 NPC43500
Intermediate Similarity 0.7881 NPC164148
Intermediate Similarity 0.7872 NPC472596
Intermediate Similarity 0.7871 NPC475872
Intermediate Similarity 0.787 NPC108278
Intermediate Similarity 0.7867 NPC167517
Intermediate Similarity 0.7852 NPC474478
Intermediate Similarity 0.7852 NPC309744
Intermediate Similarity 0.7834 NPC113790
Intermediate Similarity 0.7832 NPC279379
Intermediate Similarity 0.7821 NPC15577
Intermediate Similarity 0.7815 NPC52086
Intermediate Similarity 0.7815 NPC76336
Intermediate Similarity 0.7815 NPC20511
Intermediate Similarity 0.7815 NPC139548
Intermediate Similarity 0.7815 NPC95162
Intermediate Similarity 0.7815 NPC148835
Intermediate Similarity 0.7815 NPC20796
Intermediate Similarity 0.7808 NPC207702
Intermediate Similarity 0.7808 NPC283114
Intermediate Similarity 0.7808 NPC31707
Intermediate Similarity 0.7808 NPC149008
Intermediate Similarity 0.78 NPC240915
Intermediate Similarity 0.7793 NPC101894
Intermediate Similarity 0.7792 NPC258083
Intermediate Similarity 0.7792 NPC218510
Intermediate Similarity 0.7792 NPC76415
Intermediate Similarity 0.7792 NPC230157
Intermediate Similarity 0.7785 NPC474810
Intermediate Similarity 0.7785 NPC477381
Intermediate Similarity 0.7778 NPC300611
Intermediate Similarity 0.7778 NPC471801
Intermediate Similarity 0.7771 NPC139839
Intermediate Similarity 0.777 NPC184928
Intermediate Similarity 0.777 NPC141493
Intermediate Similarity 0.7763 NPC13067
Intermediate Similarity 0.7762 NPC261661
Intermediate Similarity 0.7762 NPC194626
Intermediate Similarity 0.775 NPC476154
Intermediate Similarity 0.7748 NPC82271
Intermediate Similarity 0.7748 NPC173660
Intermediate Similarity 0.7748 NPC205442
Intermediate Similarity 0.7748 NPC126682
Intermediate Similarity 0.7748 NPC471719
Intermediate Similarity 0.7742 NPC326144
Intermediate Similarity 0.7742 NPC87883
Intermediate Similarity 0.774 NPC202904
Intermediate Similarity 0.774 NPC471986
Intermediate Similarity 0.774 NPC189248
Intermediate Similarity 0.7736 NPC474975
Intermediate Similarity 0.7736 NPC477379
Intermediate Similarity 0.7733 NPC7163
Intermediate Similarity 0.7733 NPC147030
Intermediate Similarity 0.773 NPC308217
Intermediate Similarity 0.7724 NPC64391
Intermediate Similarity 0.7722 NPC176903
Intermediate Similarity 0.7722 NPC30688
Intermediate Similarity 0.7718 NPC475856
Intermediate Similarity 0.7718 NPC245120
Intermediate Similarity 0.7718 NPC123954
Intermediate Similarity 0.7718 NPC5423
Intermediate Similarity 0.7714 NPC471803
Intermediate Similarity 0.7714 NPC471804
Intermediate Similarity 0.7714 NPC471812
Intermediate Similarity 0.7707 NPC231149
Intermediate Similarity 0.7703 NPC192687
Intermediate Similarity 0.7703 NPC214860
Intermediate Similarity 0.7703 NPC237169
Intermediate Similarity 0.7703 NPC470624
Intermediate Similarity 0.7703 NPC224157
Intermediate Similarity 0.7702 NPC62903
Intermediate Similarity 0.7702 NPC7178
Intermediate Similarity 0.7697 NPC38874
Intermediate Similarity 0.7697 NPC476171
Intermediate Similarity 0.7697 NPC474886
Intermediate Similarity 0.7697 NPC261714
Intermediate Similarity 0.7692 NPC318286
Intermediate Similarity 0.7692 NPC327651
Intermediate Similarity 0.7692 NPC221318
Intermediate Similarity 0.7682 NPC472521
Intermediate Similarity 0.7682 NPC472337
Intermediate Similarity 0.7682 NPC195022
Intermediate Similarity 0.7677 NPC138212
Intermediate Similarity 0.7673 NPC205727
Intermediate Similarity 0.7673 NPC120426
Intermediate Similarity 0.7673 NPC21184
Intermediate Similarity 0.7673 NPC294522
Intermediate Similarity 0.7671 NPC127604
Intermediate Similarity 0.7671 NPC244364
Intermediate Similarity 0.767 NPC121100
Intermediate Similarity 0.7667 NPC26673
Intermediate Similarity 0.7667 NPC277021
Intermediate Similarity 0.7667 NPC472524
Intermediate Similarity 0.7662 NPC300798
Intermediate Similarity 0.7662 NPC58137
Intermediate Similarity 0.7661 NPC175804
Intermediate Similarity 0.7654 NPC142479
Intermediate Similarity 0.7654 NPC155015
Intermediate Similarity 0.7651 NPC471983
Intermediate Similarity 0.7651 NPC142530
Intermediate Similarity 0.7651 NPC149337
Intermediate Similarity 0.7651 NPC147317
Intermediate Similarity 0.7647 NPC471388
Intermediate Similarity 0.7647 NPC212942
Intermediate Similarity 0.7647 NPC25966
Intermediate Similarity 0.7647 NPC79622
Intermediate Similarity 0.7647 NPC319647
Intermediate Similarity 0.7647 NPC29868
Intermediate Similarity 0.7647 NPC127218
Intermediate Similarity 0.7647 NPC245207
Intermediate Similarity 0.7643 NPC321696
Intermediate Similarity 0.7643 NPC321958
Intermediate Similarity 0.7643 NPC475896
Intermediate Similarity 0.7643 NPC474054
Intermediate Similarity 0.7643 NPC205361
Intermediate Similarity 0.764 NPC149735
Intermediate Similarity 0.7639 NPC264885
Intermediate Similarity 0.7635 NPC474227
Intermediate Similarity 0.7635 NPC153547
Intermediate Similarity 0.7635 NPC58164
Intermediate Similarity 0.7635 NPC45824
Intermediate Similarity 0.7635 NPC190144
Intermediate Similarity 0.7635 NPC10225
Intermediate Similarity 0.7632 NPC471182
Intermediate Similarity 0.7632 NPC472334
Intermediate Similarity 0.7632 NPC143895
Intermediate Similarity 0.7632 NPC472336
Intermediate Similarity 0.7628 NPC18211
Intermediate Similarity 0.7628 NPC50250
Intermediate Similarity 0.7627 NPC471807
Intermediate Similarity 0.7627 NPC471810
Intermediate Similarity 0.7627 NPC471806
Intermediate Similarity 0.7622 NPC267064
Intermediate Similarity 0.7616 NPC256776
Intermediate Similarity 0.7616 NPC145722
Intermediate Similarity 0.7616 NPC111635
Intermediate Similarity 0.7616 NPC106215
Intermediate Similarity 0.7616 NPC185680
Intermediate Similarity 0.7616 NPC92830
Intermediate Similarity 0.7613 NPC80326
Intermediate Similarity 0.7613 NPC472562
Intermediate Similarity 0.7613 NPC174522
Intermediate Similarity 0.7613 NPC472335
Intermediate Similarity 0.7613 NPC472332
Intermediate Similarity 0.7606 NPC15805
Intermediate Similarity 0.7606 NPC254625
Intermediate Similarity 0.7606 NPC475961
Intermediate Similarity 0.76 NPC86655

Drug Structure

External Identifiers

TTD   DCL000273; DCL000726
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   56237
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  338.06
ALogP  0.4783
MLogP  2.45
XLogP  2.59
HDA  2
HBD  0
Rotatable Bonds  11
TPSA  71.06
RO5 Violation  0