Drug Information

Drug ID:  NPD9470
Drug Name:  
Molecular Formula:  C8H6Cl5NO2
Canonical SMILES:  COc1nc(c(c(c1Cl)OC)Cl)C(Cl)(Cl)Cl
Standard InCHI:  InChI=1S/C8H6Cl5NO2/c1-15-5-3(9)6(8(11,12)13)14-7(16-2)4(5)10/h1-2H3
Standard InCHIKey:  DZVPGIORVGSQMC-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD9470

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
Remote Similarity 0.6948 NPC471594
Remote Similarity 0.6948 NPC471596
Remote Similarity 0.6903 NPC280853
Remote Similarity 0.6859 NPC245657
Remote Similarity 0.6859 NPC285016
Remote Similarity 0.6835 NPC471598
Remote Similarity 0.6748 NPC26872
Remote Similarity 0.6747 NPC285635
Remote Similarity 0.6744 NPC194724
Remote Similarity 0.6705 NPC283152
Remote Similarity 0.6647 NPC288943
Remote Similarity 0.6627 NPC26850
Remote Similarity 0.6607 NPC177404
Remote Similarity 0.657 NPC258773
Remote Similarity 0.655 NPC1527
Remote Similarity 0.6517 NPC62069
Remote Similarity 0.648 NPC42591
Remote Similarity 0.6471 NPC263439
Remote Similarity 0.6416 NPC476518
Remote Similarity 0.6409 NPC66083
Remote Similarity 0.6379 NPC14651
Remote Similarity 0.6379 NPC121658
Remote Similarity 0.6354 NPC61350
Remote Similarity 0.6313 NPC118776
Remote Similarity 0.6304 NPC469390
Remote Similarity 0.6279 NPC118511
Remote Similarity 0.627 NPC114335
Remote Similarity 0.627 NPC280964
Remote Similarity 0.627 NPC141915
Remote Similarity 0.625 NPC111624
Remote Similarity 0.6242 NPC161292
Remote Similarity 0.6237 NPC79293
Remote Similarity 0.6237 NPC279401
Remote Similarity 0.6237 NPC41382
Remote Similarity 0.6235 NPC132680
Remote Similarity 0.6235 NPC269919
Remote Similarity 0.6201 NPC472168
Remote Similarity 0.6176 NPC166655
Remote Similarity 0.6167 NPC222592
Remote Similarity 0.6167 NPC168486
Remote Similarity 0.6162 NPC471593
Remote Similarity 0.6159 NPC470403
Remote Similarity 0.6159 NPC470404
Remote Similarity 0.6159 NPC470394
Remote Similarity 0.6154 NPC320394
Remote Similarity 0.6138 NPC224928
Remote Similarity 0.6133 NPC470474
Remote Similarity 0.6133 NPC219963
Remote Similarity 0.6133 NPC266551
Remote Similarity 0.6133 NPC161887
Remote Similarity 0.6124 NPC312872
Remote Similarity 0.6118 NPC63562
Remote Similarity 0.6108 NPC110741
Remote Similarity 0.6095 NPC153769
Remote Similarity 0.6084 NPC470395
Remote Similarity 0.6047 NPC116573
Remote Similarity 0.6033 NPC20249
Remote Similarity 0.6 NPC204385
Remote Similarity 0.5979 NPC66815
Remote Similarity 0.5978 NPC84478
Remote Similarity 0.5977 NPC63338
Remote Similarity 0.5977 NPC322976
Remote Similarity 0.5977 NPC324203
Remote Similarity 0.5968 NPC206251
Remote Similarity 0.5968 NPC74382
Remote Similarity 0.5965 NPC36168
Remote Similarity 0.5918 NPC164374
Remote Similarity 0.5918 NPC137929
Remote Similarity 0.5917 NPC257142
Remote Similarity 0.5909 NPC211187
Remote Similarity 0.5906 NPC284348
Remote Similarity 0.5904 NPC60553
Remote Similarity 0.5888 NPC304183
Remote Similarity 0.587 NPC206201
Remote Similarity 0.587 NPC474798
Remote Similarity 0.5867 NPC469440
Remote Similarity 0.5858 NPC220523
Remote Similarity 0.5852 NPC79911
Remote Similarity 0.5851 NPC224327
Remote Similarity 0.5847 NPC149402
Remote Similarity 0.5842 NPC133140
Remote Similarity 0.5842 NPC195268
Remote Similarity 0.5838 NPC176127
Remote Similarity 0.582 NPC134079
Remote Similarity 0.5812 NPC289786
Remote Similarity 0.5812 NPC226202
Remote Similarity 0.5795 NPC25899
Remote Similarity 0.5795 NPC120798
Remote Similarity 0.5781 NPC131017
Remote Similarity 0.5778 NPC256828
Remote Similarity 0.5771 NPC219664
Remote Similarity 0.5771 NPC269367
Remote Similarity 0.5765 NPC31930
Remote Similarity 0.5759 NPC469961
Remote Similarity 0.5751 NPC473053
Remote Similarity 0.5739 NPC84508
Remote Similarity 0.5733 NPC264782
Remote Similarity 0.573 NPC473057
Remote Similarity 0.5722 NPC70956
Remote Similarity 0.5722 NPC156059
Remote Similarity 0.5722 NPC243834
Remote Similarity 0.5722 NPC267928
Remote Similarity 0.5714 NPC329747
Remote Similarity 0.5714 NPC203168
Remote Similarity 0.5714 NPC315957
Remote Similarity 0.5692 NPC72211
Remote Similarity 0.5686 NPC140888
Remote Similarity 0.5685 NPC470586
Remote Similarity 0.5685 NPC232727
Remote Similarity 0.5684 NPC242928
Remote Similarity 0.5678 NPC36229
Remote Similarity 0.5678 NPC476581
Remote Similarity 0.5678 NPC16452
Remote Similarity 0.5674 NPC48192
Remote Similarity 0.5672 NPC308392
Remote Similarity 0.567 NPC13880
Remote Similarity 0.5667 NPC108469
Remote Similarity 0.5663 NPC476578
Remote Similarity 0.5663 NPC4071
Remote Similarity 0.5663 NPC476582
Remote Similarity 0.566 NPC151489
Remote Similarity 0.5659 NPC16066
Remote Similarity 0.5652 NPC197141
Remote Similarity 0.565 NPC472111
Remote Similarity 0.565 NPC471736
Remote Similarity 0.5638 NPC55038
Remote Similarity 0.5638 NPC226914
Remote Similarity 0.5635 NPC477019
Remote Similarity 0.5635 NPC11017
Remote Similarity 0.5628 NPC317572
Remote Similarity 0.5619 NPC205934
Remote Similarity 0.5619 NPC43787
Remote Similarity 0.561 NPC474594
Remote Similarity 0.5602 NPC296527
Remote Similarity 0.56 NPC285558

Drug Structure

External Identifiers

TTD   DIB005563
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   60203
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  322.88
ALogP  3.0732
MLogP  1.46
XLogP  3.114
HDA  1
HBD  0
Rotatable Bonds  10
TPSA  31.35
RO5 Violation  0