Drug Information

Drug ID:  NPD9343
Drug Name:  
Molecular Formula:  C8H10ClN3O
Canonical SMILES:  NCCNC(=O)c1ccc(cn1)Cl
Standard InCHI:  InChI=1S/C8H10ClN3O/c9-6-1-2-7(12-5-6)8(13)11-4-3-10/h1-2,5H,3-4,10H2,(H,11,13)
Standard InCHIKey:  JZXRLKWWVNUZRB-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD9343

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 0.8069 NPC313823
Intermediate Similarity 0.7748 NPC291517
Intermediate Similarity 0.7736 NPC472260
Intermediate Similarity 0.7669 NPC473706
Intermediate Similarity 0.7643 NPC467188
Intermediate Similarity 0.764 NPC229055
Intermediate Similarity 0.7636 NPC233380
Intermediate Similarity 0.7632 NPC23215
Intermediate Similarity 0.7469 NPC251391
Intermediate Similarity 0.7438 NPC105811
Intermediate Similarity 0.7353 NPC54214
Intermediate Similarity 0.7317 NPC209362
Intermediate Similarity 0.7308 NPC472288
Intermediate Similarity 0.7303 NPC71236
Intermediate Similarity 0.7301 NPC70406
Intermediate Similarity 0.7284 NPC123906
Intermediate Similarity 0.7273 NPC330326
Intermediate Similarity 0.7267 NPC302159
Intermediate Similarity 0.7239 NPC313889
Intermediate Similarity 0.7229 NPC213914
Intermediate Similarity 0.7134 NPC471655
Intermediate Similarity 0.7108 NPC474236
Intermediate Similarity 0.7089 NPC65408
Intermediate Similarity 0.7083 NPC80681
Intermediate Similarity 0.7079 NPC477003
Intermediate Similarity 0.7073 NPC102664
Intermediate Similarity 0.7066 NPC74357
Intermediate Similarity 0.7066 NPC169586
Intermediate Similarity 0.7062 NPC191415
Intermediate Similarity 0.703 NPC473878
Intermediate Similarity 0.7022 NPC102755
Intermediate Similarity 0.7019 NPC476454
Intermediate Similarity 0.7018 NPC474383
Intermediate Similarity 0.7013 NPC471589
Intermediate Similarity 0.7012 NPC100726
Intermediate Similarity 0.7006 NPC314281
Intermediate Similarity 0.7006 NPC40530
Intermediate Similarity 0.7 NPC476527
Remote Similarity 0.6982 NPC474492
Remote Similarity 0.6972 NPC231655
Remote Similarity 0.6959 NPC206148
Remote Similarity 0.6943 NPC20021
Remote Similarity 0.6927 NPC270834
Remote Similarity 0.6923 NPC27296
Remote Similarity 0.6905 NPC33229
Remote Similarity 0.6895 NPC317701
Remote Similarity 0.6894 NPC315348
Remote Similarity 0.6894 NPC32002
Remote Similarity 0.6893 NPC284775
Remote Similarity 0.689 NPC260041
Remote Similarity 0.6879 NPC41717
Remote Similarity 0.6875 NPC469529
Remote Similarity 0.6875 NPC471312
Remote Similarity 0.6865 NPC326422
Remote Similarity 0.6864 NPC476464
Remote Similarity 0.6857 NPC227489
Remote Similarity 0.6857 NPC476421
Remote Similarity 0.6857 NPC28096
Remote Similarity 0.6851 NPC133003
Remote Similarity 0.6848 NPC476460
Remote Similarity 0.6842 NPC470680
Remote Similarity 0.6842 NPC100104
Remote Similarity 0.6839 NPC70949
Remote Similarity 0.6821 NPC42372
Remote Similarity 0.6813 NPC195704
Remote Similarity 0.6813 NPC98156
Remote Similarity 0.6813 NPC167200
Remote Similarity 0.6813 NPC200397
Remote Similarity 0.6813 NPC292434
Remote Similarity 0.6813 NPC138596
Remote Similarity 0.6813 NPC64661
Remote Similarity 0.6813 NPC14448
Remote Similarity 0.6811 NPC216550
Remote Similarity 0.6792 NPC150592
Remote Similarity 0.6782 NPC114637
Remote Similarity 0.6778 NPC470677
Remote Similarity 0.6763 NPC306160
Remote Similarity 0.6763 NPC476418
Remote Similarity 0.6761 NPC226835
Remote Similarity 0.676 NPC11126
Remote Similarity 0.6753 NPC27740
Remote Similarity 0.6748 NPC3698
Remote Similarity 0.6748 NPC12831
Remote Similarity 0.6748 NPC48171
Remote Similarity 0.6748 NPC77582
Remote Similarity 0.6748 NPC129753
Remote Similarity 0.6748 NPC169308
Remote Similarity 0.6748 NPC302717
Remote Similarity 0.6748 NPC244087
Remote Similarity 0.6748 NPC74928
Remote Similarity 0.6748 NPC59839
Remote Similarity 0.6748 NPC97230
Remote Similarity 0.6748 NPC205604
Remote Similarity 0.6748 NPC209281
Remote Similarity 0.6748 NPC286529
Remote Similarity 0.6742 NPC476419
Remote Similarity 0.6724 NPC2414
Remote Similarity 0.6722 NPC73994
Remote Similarity 0.671 NPC245244
Remote Similarity 0.671 NPC146373
Remote Similarity 0.671 NPC166424
Remote Similarity 0.6708 NPC328029
Remote Similarity 0.6705 NPC116961
Remote Similarity 0.6704 NPC83774
Remote Similarity 0.6704 NPC237188
Remote Similarity 0.6704 NPC473380
Remote Similarity 0.6704 NPC240088
Remote Similarity 0.6703 NPC324091
Remote Similarity 0.6686 NPC217021
Remote Similarity 0.6686 NPC470679
Remote Similarity 0.6686 NPC293487
Remote Similarity 0.6685 NPC293216
Remote Similarity 0.6684 NPC284338
Remote Similarity 0.6667 NPC167710
Remote Similarity 0.6667 NPC478184
Remote Similarity 0.6667 NPC174281
Remote Similarity 0.6667 NPC83987
Remote Similarity 0.6667 NPC265710
Remote Similarity 0.6667 NPC475286
Remote Similarity 0.6667 NPC210123
Remote Similarity 0.6667 NPC265100
Remote Similarity 0.6649 NPC103119
Remote Similarity 0.6648 NPC470205
Remote Similarity 0.6648 NPC136441
Remote Similarity 0.663 NPC477042
Remote Similarity 0.663 NPC16659
Remote Similarity 0.663 NPC61011
Remote Similarity 0.6614 NPC48117
Remote Similarity 0.6614 NPC476526
Remote Similarity 0.6614 NPC329765
Remote Similarity 0.6612 NPC228835
Remote Similarity 0.6611 NPC157583
Remote Similarity 0.6606 NPC58268
Remote Similarity 0.6606 NPC129412
Remote Similarity 0.6606 NPC101130
Remote Similarity 0.6606 NPC114033
Remote Similarity 0.6597 NPC477004
Remote Similarity 0.6597 NPC136957
Remote Similarity 0.6597 NPC19696
Remote Similarity 0.6591 NPC56233
Remote Similarity 0.6587 NPC470440
Remote Similarity 0.6582 NPC89490
Remote Similarity 0.658 NPC472062
Remote Similarity 0.658 NPC472063
Remote Similarity 0.658 NPC472069
Remote Similarity 0.6579 NPC106824
Remote Similarity 0.6579 NPC134657
Remote Similarity 0.6576 NPC99939
Remote Similarity 0.6576 NPC308931
Remote Similarity 0.6573 NPC273532
Remote Similarity 0.6573 NPC262338
Remote Similarity 0.6571 NPC478182
Remote Similarity 0.6571 NPC274981
Remote Similarity 0.6564 NPC114310
Remote Similarity 0.6556 NPC151635
Remote Similarity 0.6541 NPC329896
Remote Similarity 0.6541 NPC475090
Remote Similarity 0.6541 NPC46022
Remote Similarity 0.6541 NPC112489
Remote Similarity 0.6541 NPC475105
Remote Similarity 0.6541 NPC94752
Remote Similarity 0.6526 NPC79356
Remote Similarity 0.6526 NPC102592
Remote Similarity 0.6522 NPC322488
Remote Similarity 0.6522 NPC46895
Remote Similarity 0.6522 NPC21429
Remote Similarity 0.6522 NPC467063
Remote Similarity 0.6514 NPC478185
Remote Similarity 0.6514 NPC242116
Remote Similarity 0.651 NPC237414
Remote Similarity 0.6505 NPC17059
Remote Similarity 0.65 NPC37268
Remote Similarity 0.6497 NPC478183
Remote Similarity 0.6494 NPC477591
Remote Similarity 0.649 NPC84268
Remote Similarity 0.6486 NPC27802
Remote Similarity 0.6485 NPC85443
Remote Similarity 0.648 NPC472064
Remote Similarity 0.648 NPC472065
Remote Similarity 0.648 NPC253810
Remote Similarity 0.6467 NPC190296
Remote Similarity 0.646 NPC471322
Remote Similarity 0.646 NPC256893
Remote Similarity 0.6458 NPC34837
Remote Similarity 0.6453 NPC312860
Remote Similarity 0.6453 NPC200214
Remote Similarity 0.6452 NPC118084
Remote Similarity 0.6452 NPC141612
Remote Similarity 0.6452 NPC17273
Remote Similarity 0.6452 NPC135601
Remote Similarity 0.6444 NPC252572
Remote Similarity 0.6444 NPC161861
Remote Similarity 0.6444 NPC80528
Remote Similarity 0.644 NPC77061
Remote Similarity 0.6432 NPC207851
Remote Similarity 0.6429 NPC159630
Remote Similarity 0.6429 NPC230085
Remote Similarity 0.6425 NPC32534
Remote Similarity 0.6424 NPC104049
Remote Similarity 0.6421 NPC304203

Drug Structure

External Identifiers

TTD   DIB003873
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   71307
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  199.05
ALogP  -0.6172
MLogP  1.79
XLogP  0.135
HDA  4
HBD  2
Rotatable Bonds  6
TPSA  68.01
RO5 Violation  0