Drug Information

Drug ID:  NPD1285
Drug Name:  
Molecular Formula:  C14H15ClN2O3
Canonical SMILES:  CO/N=C/C1=CCCN(C1)C(=O)Oc1ccc(cc1)Cl
Standard InCHI:  InChI=1S/C14H15ClN2O3/c1-19-16-9-11-3-2-8-17(10-11)14(18)20-13-6-4-12(15)5-7-13/h3-7,9H,2,8,10H2,1H3/b16-9+
Standard InCHIKey:  CTVQNEVLCGSTKL-CXUHLZMHSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1285

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 0.7054 NPC309982
Remote Similarity 0.6622 NPC29650
Remote Similarity 0.6577 NPC138365
Remote Similarity 0.6549 NPC151237
Remote Similarity 0.6484 NPC313918
Remote Similarity 0.6483 NPC218323
Remote Similarity 0.6475 NPC161768
Remote Similarity 0.6444 NPC95977
Remote Similarity 0.6419 NPC476570
Remote Similarity 0.6418 NPC146530
Remote Similarity 0.6403 NPC258992
Remote Similarity 0.6397 NPC166837
Remote Similarity 0.6389 NPC255253
Remote Similarity 0.6333 NPC66643
Remote Similarity 0.6331 NPC303370
Remote Similarity 0.6319 NPC27198
Remote Similarity 0.6306 NPC9373
Remote Similarity 0.6284 NPC283079
Remote Similarity 0.6275 NPC113236
Remote Similarity 0.6275 NPC214036
Remote Similarity 0.6268 NPC43275
Remote Similarity 0.6242 NPC200555
Remote Similarity 0.6242 NPC196026
Remote Similarity 0.6241 NPC323948
Remote Similarity 0.6241 NPC109637
Remote Similarity 0.6225 NPC266425
Remote Similarity 0.6207 NPC90577
Remote Similarity 0.6197 NPC204617
Remote Similarity 0.6184 NPC167096
Remote Similarity 0.6179 NPC23837
Remote Similarity 0.6169 NPC470707
Remote Similarity 0.6167 NPC124576
Remote Similarity 0.6159 NPC217574
Remote Similarity 0.6154 NPC256369
Remote Similarity 0.6144 NPC230698
Remote Similarity 0.6144 NPC73883
Remote Similarity 0.6144 NPC136330
Remote Similarity 0.6144 NPC196609
Remote Similarity 0.6144 NPC277042
Remote Similarity 0.6144 NPC205178
Remote Similarity 0.6144 NPC255817
Remote Similarity 0.6144 NPC251454
Remote Similarity 0.6139 NPC244338
Remote Similarity 0.6136 NPC107101
Remote Similarity 0.6119 NPC283546
Remote Similarity 0.6118 NPC273984
Remote Similarity 0.6111 NPC289330
Remote Similarity 0.6111 NPC160120
Remote Similarity 0.6111 NPC41801
Remote Similarity 0.6111 NPC471308
Remote Similarity 0.6111 NPC321133
Remote Similarity 0.6111 NPC263835
Remote Similarity 0.6111 NPC53596
Remote Similarity 0.6111 NPC17388
Remote Similarity 0.6104 NPC99078
Remote Similarity 0.6096 NPC471315
Remote Similarity 0.6096 NPC471314
Remote Similarity 0.609 NPC307425
Remote Similarity 0.6081 NPC476249
Remote Similarity 0.6078 NPC193673
Remote Similarity 0.6078 NPC45783
Remote Similarity 0.6078 NPC94280
Remote Similarity 0.6078 NPC103947
Remote Similarity 0.6078 NPC159150
Remote Similarity 0.6078 NPC328419
Remote Similarity 0.6074 NPC42383
Remote Similarity 0.6069 NPC83279
Remote Similarity 0.6065 NPC252107
Remote Similarity 0.6065 NPC220923
Remote Similarity 0.6063 NPC8002
Remote Similarity 0.6063 NPC99886
Remote Similarity 0.6063 NPC259134
Remote Similarity 0.6063 NPC177844
Remote Similarity 0.6053 NPC118419
Remote Similarity 0.6053 NPC318862
Remote Similarity 0.6045 NPC179686
Remote Similarity 0.604 NPC8058
Remote Similarity 0.6039 NPC96406
Remote Similarity 0.6039 NPC180647
Remote Similarity 0.6039 NPC209195
Remote Similarity 0.6039 NPC13826
Remote Similarity 0.6038 NPC473874
Remote Similarity 0.6032 NPC206876
Remote Similarity 0.6029 NPC41594
Remote Similarity 0.6026 NPC231572
Remote Similarity 0.6016 NPC71853
Remote Similarity 0.6014 NPC149545
Remote Similarity 0.6012 NPC475998
Remote Similarity 0.6 NPC137172
Remote Similarity 0.6 NPC172403
Remote Similarity 0.6 NPC469808
Remote Similarity 0.6 NPC2518
Remote Similarity 0.6 NPC145446
Remote Similarity 0.6 NPC307682
Remote Similarity 0.5985 NPC186469
Remote Similarity 0.5985 NPC175298
Remote Similarity 0.5975 NPC142803
Remote Similarity 0.5974 NPC274441
Remote Similarity 0.5973 NPC29477
Remote Similarity 0.5969 NPC321956
Remote Similarity 0.5965 NPC269383
Remote Similarity 0.5965 NPC151030
Remote Similarity 0.5962 NPC225745
Remote Similarity 0.5962 NPC95366
Remote Similarity 0.5962 NPC248505
Remote Similarity 0.5956 NPC128730
Remote Similarity 0.5956 NPC227255
Remote Similarity 0.5956 NPC238115
Remote Similarity 0.5956 NPC139891
Remote Similarity 0.5956 NPC473393
Remote Similarity 0.5956 NPC322424
Remote Similarity 0.5956 NPC473855
Remote Similarity 0.5956 NPC288760
Remote Similarity 0.5948 NPC274732
Remote Similarity 0.5948 NPC307123
Remote Similarity 0.5948 NPC247018
Remote Similarity 0.5948 NPC97870
Remote Similarity 0.5946 NPC211218
Remote Similarity 0.5946 NPC217277
Remote Similarity 0.5942 NPC291837
Remote Similarity 0.5942 NPC97811
Remote Similarity 0.594 NPC307039
Remote Similarity 0.5938 NPC302546
Remote Similarity 0.5935 NPC196708
Remote Similarity 0.5935 NPC11147
Remote Similarity 0.5935 NPC475828
Remote Similarity 0.5929 NPC269340
Remote Similarity 0.5926 NPC324081
Remote Similarity 0.5924 NPC475702
Remote Similarity 0.5921 NPC246991
Remote Similarity 0.592 NPC38459
Remote Similarity 0.592 NPC125306
Remote Similarity 0.5915 NPC87563
Remote Similarity 0.5912 NPC326447
Remote Similarity 0.5912 NPC176971
Remote Similarity 0.5912 NPC1065
Remote Similarity 0.5909 NPC105541
Remote Similarity 0.5906 NPC300955
Remote Similarity 0.5906 NPC62101
Remote Similarity 0.5906 NPC208280
Remote Similarity 0.5906 NPC95733
Remote Similarity 0.5896 NPC13755
Remote Similarity 0.5894 NPC186898
Remote Similarity 0.5879 NPC476568
Remote Similarity 0.5878 NPC471581
Remote Similarity 0.587 NPC151530
Remote Similarity 0.587 NPC157473
Remote Similarity 0.5867 NPC124776
Remote Similarity 0.5867 NPC152186
Remote Similarity 0.5867 NPC207541
Remote Similarity 0.5867 NPC246133
Remote Similarity 0.5867 NPC71105
Remote Similarity 0.5867 NPC182147
Remote Similarity 0.5867 NPC170583
Remote Similarity 0.5864 NPC296085
Remote Similarity 0.586 NPC193528
Remote Similarity 0.586 NPC28641
Remote Similarity 0.586 NPC194359
Remote Similarity 0.5859 NPC47422
Remote Similarity 0.5859 NPC157213
Remote Similarity 0.5857 NPC25067
Remote Similarity 0.5857 NPC231251
Remote Similarity 0.5857 NPC88868
Remote Similarity 0.5855 NPC471306
Remote Similarity 0.5855 NPC471321
Remote Similarity 0.5852 NPC300166
Remote Similarity 0.5852 NPC84325
Remote Similarity 0.5845 NPC264782
Remote Similarity 0.5844 NPC471953
Remote Similarity 0.5833 NPC128633
Remote Similarity 0.5828 NPC251466
Remote Similarity 0.5828 NPC156944
Remote Similarity 0.5828 NPC301713
Remote Similarity 0.5821 NPC132725
Remote Similarity 0.5821 NPC100870
Remote Similarity 0.5817 NPC160193
Remote Similarity 0.5816 NPC21890
Remote Similarity 0.5816 NPC245552
Remote Similarity 0.5811 NPC14287
Remote Similarity 0.5809 NPC298224
Remote Similarity 0.5806 NPC139335
Remote Similarity 0.5806 NPC132308
Remote Similarity 0.5805 NPC49315
Remote Similarity 0.5802 NPC189908
Remote Similarity 0.5801 NPC232872
Remote Similarity 0.5789 NPC291449
Remote Similarity 0.5789 NPC41331
Remote Similarity 0.5789 NPC251571
Remote Similarity 0.5789 NPC99798
Remote Similarity 0.5789 NPC191302
Remote Similarity 0.5789 NPC17374
Remote Similarity 0.5789 NPC157740
Remote Similarity 0.5786 NPC259554
Remote Similarity 0.5786 NPC234639
Remote Similarity 0.5786 NPC212850
Remote Similarity 0.5786 NPC189724
Remote Similarity 0.5786 NPC83289
Remote Similarity 0.5774 NPC319320
Remote Similarity 0.5774 NPC287757
Remote Similarity 0.5774 NPC169742

Drug Structure

External Identifiers

TTD   DIB006987
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  294.08
ALogP  0.5817
MLogP  2.34
XLogP  3.158
HDA  2
HBD  0
Rotatable Bonds  7
TPSA  51.13
RO5 Violation  0