Drug Information

Drug ID:  NPD3757
Drug Name:  
Molecular Formula:  C20H14Cl2N2O3
Canonical SMILES:  Clc1cc(Cl)c2c(c1)[nH]c(c2/C=C/1CCN(C1=O)c1ccccc1)C(=O)[O-]
Standard InCHI:  InChI=1S/C20H14Cl2N2O3/c21-12-9-15(22)17-14(18(20(26)27)23-16(17)10-12)8-11-6-7-24(19(11)25)13-4-2-1-3-5-13/h1-5,8-10,23H,6-7H2,(H,26,27)/p-1/b11-8+
Standard InCHIKey:  VDIRQCDDCGAGET-DHZHZOJOSA-M
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD3757

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 0.7973 NPC104712
Intermediate Similarity 0.7964 NPC316411
Intermediate Similarity 0.7955 NPC244897
Intermediate Similarity 0.7951 NPC471944
Intermediate Similarity 0.7936 NPC192712
Intermediate Similarity 0.7909 NPC267853
Intermediate Similarity 0.7909 NPC315062
Intermediate Similarity 0.7783 NPC82370
Intermediate Similarity 0.767 NPC141454
Intermediate Similarity 0.7639 NPC36405
Intermediate Similarity 0.7557 NPC229893
Intermediate Similarity 0.7512 NPC477979
Intermediate Similarity 0.75 NPC221873
Intermediate Similarity 0.7488 NPC160381
Intermediate Similarity 0.7464 NPC67288
Intermediate Similarity 0.7453 NPC165599
Intermediate Similarity 0.7419 NPC118940
Intermediate Similarity 0.7418 NPC132539
Intermediate Similarity 0.7381 NPC131887
Intermediate Similarity 0.7364 NPC472285
Intermediate Similarity 0.7353 NPC133003
Intermediate Similarity 0.7349 NPC244741
Intermediate Similarity 0.7343 NPC476460
Intermediate Similarity 0.734 NPC470205
Intermediate Similarity 0.7327 NPC91179
Intermediate Similarity 0.7269 NPC270918
Intermediate Similarity 0.7243 NPC57398
Intermediate Similarity 0.7237 NPC472844
Intermediate Similarity 0.7236 NPC471943
Intermediate Similarity 0.7228 NPC217372
Intermediate Similarity 0.7228 NPC15573
Intermediate Similarity 0.7228 NPC183662
Intermediate Similarity 0.7212 NPC83111
Intermediate Similarity 0.7193 NPC194740
Intermediate Similarity 0.7192 NPC219336
Intermediate Similarity 0.719 NPC81802
Intermediate Similarity 0.719 NPC472295
Intermediate Similarity 0.719 NPC247735
Intermediate Similarity 0.719 NPC269886
Intermediate Similarity 0.719 NPC472210
Intermediate Similarity 0.717 NPC134657
Intermediate Similarity 0.7164 NPC161861
Intermediate Similarity 0.7157 NPC469896
Intermediate Similarity 0.7156 NPC266249
Intermediate Similarity 0.7149 NPC89508
Intermediate Similarity 0.7143 NPC472292
Intermediate Similarity 0.7143 NPC323198
Intermediate Similarity 0.713 NPC312645
Intermediate Similarity 0.7129 NPC324091
Intermediate Similarity 0.7123 NPC102592
Intermediate Similarity 0.7123 NPC79356
Intermediate Similarity 0.7123 NPC472293
Intermediate Similarity 0.7115 NPC278434
Intermediate Similarity 0.7111 NPC272174
Intermediate Similarity 0.7095 NPC138370
Intermediate Similarity 0.7091 NPC123839
Intermediate Similarity 0.7085 NPC322064
Intermediate Similarity 0.7081 NPC321708
Intermediate Similarity 0.708 NPC474896
Intermediate Similarity 0.7059 NPC284775
Intermediate Similarity 0.7059 NPC145885
Intermediate Similarity 0.7059 NPC84827
Intermediate Similarity 0.7059 NPC14113
Intermediate Similarity 0.7059 NPC111275
Intermediate Similarity 0.7053 NPC477003
Intermediate Similarity 0.7051 NPC240384
Intermediate Similarity 0.7051 NPC15801
Intermediate Similarity 0.7048 NPC31097
Intermediate Similarity 0.7033 NPC17059
Intermediate Similarity 0.7023 NPC472296
Intermediate Similarity 0.7023 NPC472297
Intermediate Similarity 0.702 NPC322644
Intermediate Similarity 0.7 NPC111602
Intermediate Similarity 0.7 NPC63199
Intermediate Similarity 0.7 NPC102338
Intermediate Similarity 0.7 NPC196251
Remote Similarity 0.6996 NPC31700
Remote Similarity 0.6986 NPC277350
Remote Similarity 0.6986 NPC471191
Remote Similarity 0.6983 NPC119006
Remote Similarity 0.6972 NPC317701
Remote Similarity 0.6972 NPC476098
Remote Similarity 0.6968 NPC478158
Remote Similarity 0.6964 NPC478157
Remote Similarity 0.696 NPC323969
Remote Similarity 0.6955 NPC321428
Remote Similarity 0.6954 NPC141353
Remote Similarity 0.6947 NPC264285
Remote Similarity 0.6947 NPC303658
Remote Similarity 0.6942 NPC248041
Remote Similarity 0.6942 NPC283219
Remote Similarity 0.6942 NPC126709
Remote Similarity 0.693 NPC227582
Remote Similarity 0.6927 NPC476073
Remote Similarity 0.6927 NPC151635
Remote Similarity 0.692 NPC39500
Remote Similarity 0.6919 NPC473666
Remote Similarity 0.6916 NPC220151
Remote Similarity 0.6916 NPC19692
Remote Similarity 0.6915 NPC115232
Remote Similarity 0.6909 NPC300156
Remote Similarity 0.6905 NPC94752
Remote Similarity 0.6903 NPC305984
Remote Similarity 0.6901 NPC55493
Remote Similarity 0.6898 NPC306376
Remote Similarity 0.689 NPC21429
Remote Similarity 0.6889 NPC118228
Remote Similarity 0.6887 NPC329858
Remote Similarity 0.6886 NPC276657
Remote Similarity 0.688 NPC473186
Remote Similarity 0.688 NPC196718
Remote Similarity 0.6878 NPC283117
Remote Similarity 0.6878 NPC203468
Remote Similarity 0.6878 NPC149155
Remote Similarity 0.6878 NPC4687
Remote Similarity 0.6878 NPC243850
Remote Similarity 0.6878 NPC110500
Remote Similarity 0.6875 NPC471193
Remote Similarity 0.6875 NPC471194
Remote Similarity 0.6869 NPC304203
Remote Similarity 0.6866 NPC74413
Remote Similarity 0.6864 NPC473376
Remote Similarity 0.6864 NPC35042
Remote Similarity 0.6857 NPC99939
Remote Similarity 0.6857 NPC308931
Remote Similarity 0.6849 NPC260900
Remote Similarity 0.6847 NPC39679
Remote Similarity 0.6845 NPC267885
Remote Similarity 0.6844 NPC472291
Remote Similarity 0.6837 NPC276517
Remote Similarity 0.6835 NPC214428
Remote Similarity 0.6835 NPC252338
Remote Similarity 0.6834 NPC76982
Remote Similarity 0.6826 NPC16352
Remote Similarity 0.6825 NPC17273
Remote Similarity 0.6825 NPC62749
Remote Similarity 0.6825 NPC141612
Remote Similarity 0.6825 NPC135601
Remote Similarity 0.6822 NPC39370
Remote Similarity 0.6814 NPC474412
Remote Similarity 0.681 NPC228835
Remote Similarity 0.6809 NPC102593
Remote Similarity 0.6808 NPC314333
Remote Similarity 0.6806 NPC472116
Remote Similarity 0.6802 NPC54420
Remote Similarity 0.6798 NPC184408
Remote Similarity 0.6798 NPC470509
Remote Similarity 0.6791 NPC326422
Remote Similarity 0.6789 NPC293917
Remote Similarity 0.6779 NPC55772
Remote Similarity 0.6769 NPC269270
Remote Similarity 0.6765 NPC78020
Remote Similarity 0.6763 NPC84347
Remote Similarity 0.6762 NPC159125
Remote Similarity 0.6762 NPC117027
Remote Similarity 0.6761 NPC175474
Remote Similarity 0.6761 NPC213629
Remote Similarity 0.6759 NPC202812
Remote Similarity 0.6758 NPC213308
Remote Similarity 0.6756 NPC72956
Remote Similarity 0.6756 NPC87413
Remote Similarity 0.6756 NPC294375
Remote Similarity 0.6756 NPC187501
Remote Similarity 0.6753 NPC144452
Remote Similarity 0.6753 NPC220851
Remote Similarity 0.6752 NPC33949
Remote Similarity 0.6748 NPC252572
Remote Similarity 0.6743 NPC171317
Remote Similarity 0.6743 NPC474916
Remote Similarity 0.6741 NPC162860
Remote Similarity 0.6741 NPC325297
Remote Similarity 0.6739 NPC14686
Remote Similarity 0.6738 NPC319232
Remote Similarity 0.6738 NPC214142
Remote Similarity 0.6738 NPC24370
Remote Similarity 0.6737 NPC207686
Remote Similarity 0.6729 NPC154339
Remote Similarity 0.6728 NPC245916
Remote Similarity 0.6726 NPC110182
Remote Similarity 0.6726 NPC153980
Remote Similarity 0.6726 NPC75634
Remote Similarity 0.6726 NPC6865
Remote Similarity 0.6724 NPC51388
Remote Similarity 0.6712 NPC241024
Remote Similarity 0.6711 NPC471192
Remote Similarity 0.6709 NPC157931
Remote Similarity 0.6709 NPC118559
Remote Similarity 0.6709 NPC304307
Remote Similarity 0.6709 NPC124920
Remote Similarity 0.6709 NPC34580
Remote Similarity 0.6709 NPC476491
Remote Similarity 0.6709 NPC261251
Remote Similarity 0.6709 NPC284888
Remote Similarity 0.67 NPC8104
Remote Similarity 0.6699 NPC11126
Remote Similarity 0.6698 NPC282103
Remote Similarity 0.6698 NPC311282
Remote Similarity 0.6697 NPC162730
Remote Similarity 0.6695 NPC260434
Remote Similarity 0.6693 NPC1203

Drug Structure

External Identifiers

TTD   DIB004727
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   21202952
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  399.03
ALogP  0.0552
MLogP  2.89
XLogP  3.693
HDA  5
HBD  1
Rotatable Bonds  6
TPSA  76.23
RO5 Violation  0