Drug Information

Drug ID:  NPD1211
Drug Name:  
Molecular Formula:  C14H11Cl2NO2
Canonical SMILES:  [O-]C(=O)c1ccccc1Nc1c(Cl)ccc(c1Cl)C
Standard InCHI:  InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)/p-1
Standard InCHIKey:  SBDNJUWAMKYJOX-UHFFFAOYSA-M
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1211

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 0.7815 NPC253476
Intermediate Similarity 0.7763 NPC173295
Intermediate Similarity 0.7516 NPC43477
Intermediate Similarity 0.745 NPC226794
Intermediate Similarity 0.7297 NPC130931
Intermediate Similarity 0.7255 NPC122235
Intermediate Similarity 0.7251 NPC182131
Intermediate Similarity 0.7086 NPC268534
Remote Similarity 0.6987 NPC194562
Remote Similarity 0.6954 NPC179605
Remote Similarity 0.6954 NPC279385
Remote Similarity 0.6933 NPC229353
Remote Similarity 0.6914 NPC242933
Remote Similarity 0.6908 NPC103292
Remote Similarity 0.6906 NPC470317
Remote Similarity 0.6886 NPC300596
Remote Similarity 0.6886 NPC237649
Remote Similarity 0.6868 NPC471742
Remote Similarity 0.6852 NPC181527
Remote Similarity 0.6835 NPC314098
Remote Similarity 0.6821 NPC27904
Remote Similarity 0.6815 NPC209389
Remote Similarity 0.679 NPC159722
Remote Similarity 0.6722 NPC471743
Remote Similarity 0.6688 NPC257490
Remote Similarity 0.6684 NPC313293
Remote Similarity 0.6667 NPC259678
Remote Similarity 0.6648 NPC189116
Remote Similarity 0.6647 NPC144691
Remote Similarity 0.6623 NPC150323
Remote Similarity 0.6603 NPC254698
Remote Similarity 0.6599 NPC477999
Remote Similarity 0.6593 NPC219848
Remote Similarity 0.6592 NPC471778
Remote Similarity 0.6561 NPC192533
Remote Similarity 0.6558 NPC177684
Remote Similarity 0.6558 NPC291962
Remote Similarity 0.6557 NPC256268
Remote Similarity 0.6554 NPC204867
Remote Similarity 0.6541 NPC243058
Remote Similarity 0.6538 NPC39818
Remote Similarity 0.6531 NPC172170
Remote Similarity 0.6519 NPC205946
Remote Similarity 0.6516 NPC112373
Remote Similarity 0.6516 NPC258531
Remote Similarity 0.6516 NPC161956
Remote Similarity 0.6505 NPC203635
Remote Similarity 0.646 NPC477432
Remote Similarity 0.645 NPC130797
Remote Similarity 0.6446 NPC319645
Remote Similarity 0.6443 NPC216122
Remote Similarity 0.6441 NPC93653
Remote Similarity 0.6438 NPC307437
Remote Similarity 0.6438 NPC72473
Remote Similarity 0.6438 NPC58827
Remote Similarity 0.6436 NPC90415
Remote Similarity 0.6429 NPC177261
Remote Similarity 0.6425 NPC471130
Remote Similarity 0.6404 NPC88970
Remote Similarity 0.6404 NPC199737
Remote Similarity 0.6369 NPC2823
Remote Similarity 0.6344 NPC475685
Remote Similarity 0.6344 NPC283810
Remote Similarity 0.6333 NPC299582
Remote Similarity 0.6331 NPC472241
Remote Similarity 0.6303 NPC162417
Remote Similarity 0.6303 NPC316104
Remote Similarity 0.6302 NPC138370
Remote Similarity 0.6296 NPC49184
Remote Similarity 0.6296 NPC316141
Remote Similarity 0.6287 NPC43218
Remote Similarity 0.6273 NPC250476
Remote Similarity 0.6263 NPC160381
Remote Similarity 0.6257 NPC322644
Remote Similarity 0.623 NPC278434
Remote Similarity 0.6229 NPC314223
Remote Similarity 0.6222 NPC257763
Remote Similarity 0.6221 NPC472242
Remote Similarity 0.622 NPC231382
Remote Similarity 0.6216 NPC475594
Remote Similarity 0.6213 NPC472243
Remote Similarity 0.6211 NPC472244
Remote Similarity 0.6211 NPC470343
Remote Similarity 0.6199 NPC308197
Remote Similarity 0.6198 NPC477998
Remote Similarity 0.6196 NPC112336
Remote Similarity 0.6196 NPC474814
Remote Similarity 0.619 NPC316574
Remote Similarity 0.6183 NPC475607
Remote Similarity 0.6176 NPC471164
Remote Similarity 0.6175 NPC470971
Remote Similarity 0.617 NPC298320
Remote Similarity 0.6168 NPC300299
Remote Similarity 0.615 NPC474081
Remote Similarity 0.6146 NPC473815
Remote Similarity 0.6139 NPC226143
Remote Similarity 0.6129 NPC470548
Remote Similarity 0.6126 NPC282103
Remote Similarity 0.6122 NPC198205
Remote Similarity 0.6122 NPC21483
Remote Similarity 0.6118 NPC314252
Remote Similarity 0.6118 NPC181526
Remote Similarity 0.6108 NPC318183
Remote Similarity 0.6107 NPC324786
Remote Similarity 0.61 NPC471944
Remote Similarity 0.6096 NPC84347
Remote Similarity 0.6095 NPC287358
Remote Similarity 0.6085 NPC85613
Remote Similarity 0.608 NPC241392
Remote Similarity 0.608 NPC13526
Remote Similarity 0.6075 NPC73280
Remote Similarity 0.6074 NPC314278
Remote Similarity 0.6074 NPC322433
Remote Similarity 0.6069 NPC136002
Remote Similarity 0.6069 NPC323798
Remote Similarity 0.6065 NPC57051
Remote Similarity 0.6061 NPC198390
Remote Similarity 0.6059 NPC83214
Remote Similarity 0.6056 NPC61013
Remote Similarity 0.6056 NPC123241
Remote Similarity 0.6053 NPC472163
Remote Similarity 0.6044 NPC293458
Remote Similarity 0.6032 NPC474815
Remote Similarity 0.6032 NPC475761
Remote Similarity 0.6032 NPC474041
Remote Similarity 0.603 NPC311054
Remote Similarity 0.603 NPC112752
Remote Similarity 0.6029 NPC243850
Remote Similarity 0.6024 NPC316746
Remote Similarity 0.6023 NPC207554
Remote Similarity 0.6023 NPC242000
Remote Similarity 0.6022 NPC126676
Remote Similarity 0.6022 NPC36495
Remote Similarity 0.6022 NPC193410
Remote Similarity 0.6022 NPC469671
Remote Similarity 0.6 NPC90358
Remote Similarity 0.6 NPC5167
Remote Similarity 0.6 NPC63370
Remote Similarity 0.6 NPC241263
Remote Similarity 0.6 NPC146370
Remote Similarity 0.6 NPC107828
Remote Similarity 0.6 NPC36836
Remote Similarity 0.5989 NPC191310
Remote Similarity 0.5989 NPC248117
Remote Similarity 0.5988 NPC476685
Remote Similarity 0.5988 NPC476687
Remote Similarity 0.5988 NPC316202
Remote Similarity 0.5988 NPC476689
Remote Similarity 0.5978 NPC295021
Remote Similarity 0.5977 NPC190945
Remote Similarity 0.5968 NPC472118
Remote Similarity 0.5965 NPC315224
Remote Similarity 0.5964 NPC472245
Remote Similarity 0.5957 NPC303225
Remote Similarity 0.5954 NPC301702
Remote Similarity 0.5941 NPC136573
Remote Similarity 0.5941 NPC176371
Remote Similarity 0.5938 NPC471785
Remote Similarity 0.5936 NPC292265
Remote Similarity 0.5933 NPC291426
Remote Similarity 0.5931 NPC314648
Remote Similarity 0.5931 NPC132539
Remote Similarity 0.5922 NPC117032
Remote Similarity 0.5922 NPC285192
Remote Similarity 0.5914 NPC224970
Remote Similarity 0.5914 NPC223595
Remote Similarity 0.5914 NPC167724
Remote Similarity 0.5914 NPC470894
Remote Similarity 0.5911 NPC288759
Remote Similarity 0.5911 NPC475223
Remote Similarity 0.5902 NPC315638
Remote Similarity 0.5902 NPC313796
Remote Similarity 0.5902 NPC313345
Remote Similarity 0.5902 NPC82053
Remote Similarity 0.5902 NPC314855
Remote Similarity 0.59 NPC141454
Remote Similarity 0.5899 NPC192712
Remote Similarity 0.5896 NPC471574
Remote Similarity 0.5895 NPC9475
Remote Similarity 0.5882 NPC79618
Remote Similarity 0.5882 NPC475448
Remote Similarity 0.5882 NPC246983
Remote Similarity 0.5879 NPC477887
Remote Similarity 0.5874 NPC314297
Remote Similarity 0.5874 NPC315545
Remote Similarity 0.5871 NPC474916
Remote Similarity 0.587 NPC99632
Remote Similarity 0.587 NPC282339
Remote Similarity 0.5867 NPC221873
Remote Similarity 0.586 NPC471652
Remote Similarity 0.5859 NPC114039
Remote Similarity 0.5859 NPC206109
Remote Similarity 0.5854 NPC301292
Remote Similarity 0.5854 NPC313112
Remote Similarity 0.5846 NPC150308
Remote Similarity 0.5846 NPC194040
Remote Similarity 0.5845 NPC472844
Remote Similarity 0.5845 NPC266249
Remote Similarity 0.5838 NPC315051
Remote Similarity 0.5838 NPC83111

Drug Structure

External Identifiers

TTD   DPR000027
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   4036
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  294.01
ALogP  0.7926
MLogP  2.45
XLogP  3.759
HDA  3
HBD  1
Rotatable Bonds  7
TPSA  52.16
RO5 Violation  0