Drug Information

Drug ID:  NPD2340
Drug Name:  SDZ-267-489
Molecular Formula:  C17H14N2S
Canonical SMILES:  Cc1csc2=Nc3c([C@H](n12)c1ccccc1)cccc3
Standard InCHI:  InChI=1S/C17H14N2S/c1-12-11-20-17-18-15-10-6-5-9-14(15)16(19(12)17)13-7-3-2-4-8-13/h2-11,16H,1H3/t16-/m1/s1
Standard InCHIKey:  DSEYBGDEFWSNEE-MRXNPFEDSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD2340

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 0.8403 NPC288232
Intermediate Similarity 0.7966 NPC164802
Intermediate Similarity 0.7934 NPC187036
Intermediate Similarity 0.768 NPC192209
Intermediate Similarity 0.7642 NPC296163
Intermediate Similarity 0.7627 NPC469974
Intermediate Similarity 0.7458 NPC291610
Intermediate Similarity 0.7344 NPC264580
Intermediate Similarity 0.7132 NPC313449
Intermediate Similarity 0.7068 NPC283130
Intermediate Similarity 0.7068 NPC328683
Intermediate Similarity 0.7007 NPC9856
Intermediate Similarity 0.7 NPC300299
Remote Similarity 0.6861 NPC478079
Remote Similarity 0.6822 NPC314141
Remote Similarity 0.6791 NPC475915
Remote Similarity 0.6763 NPC226662
Remote Similarity 0.6739 NPC476950
Remote Similarity 0.6695 NPC470926
Remote Similarity 0.6693 NPC302790
Remote Similarity 0.6667 NPC207428
Remote Similarity 0.6644 NPC469735
Remote Similarity 0.6621 NPC83214
Remote Similarity 0.66 NPC469740
Remote Similarity 0.6573 NPC184437
Remote Similarity 0.6547 NPC252794
Remote Similarity 0.6544 NPC257490
Remote Similarity 0.65 NPC145754
Remote Similarity 0.6484 NPC79618
Remote Similarity 0.6471 NPC191444
Remote Similarity 0.6471 NPC78154
Remote Similarity 0.6463 NPC207554
Remote Similarity 0.6458 NPC313352
Remote Similarity 0.6429 NPC474430
Remote Similarity 0.6419 NPC471574
Remote Similarity 0.6419 NPC2823
Remote Similarity 0.6408 NPC473417
Remote Similarity 0.6393 NPC108339
Remote Similarity 0.6387 NPC176858
Remote Similarity 0.6364 NPC148592
Remote Similarity 0.6364 NPC108800
Remote Similarity 0.6356 NPC262295
Remote Similarity 0.6351 NPC243162
Remote Similarity 0.6349 NPC239854
Remote Similarity 0.6341 NPC471319
Remote Similarity 0.6341 NPC471320
Remote Similarity 0.6311 NPC322040
Remote Similarity 0.6303 NPC111233
Remote Similarity 0.6296 NPC313673
Remote Similarity 0.6296 NPC147957
Remote Similarity 0.6294 NPC187231
Remote Similarity 0.6291 NPC20144
Remote Similarity 0.6291 NPC136002
Remote Similarity 0.6277 NPC291962
Remote Similarity 0.6277 NPC177684
Remote Similarity 0.626 NPC329430
Remote Similarity 0.6258 NPC206592
Remote Similarity 0.6242 NPC130251
Remote Similarity 0.6234 NPC321617
Remote Similarity 0.6232 NPC258531
Remote Similarity 0.6232 NPC161956
Remote Similarity 0.6232 NPC112373
Remote Similarity 0.6231 NPC434
Remote Similarity 0.6218 NPC117032
Remote Similarity 0.6207 NPC22079
Remote Similarity 0.6207 NPC53044
Remote Similarity 0.6202 NPC474695
Remote Similarity 0.62 NPC22082
Remote Similarity 0.62 NPC301760
Remote Similarity 0.62 NPC186284
Remote Similarity 0.6198 NPC476160
Remote Similarity 0.6184 NPC470822
Remote Similarity 0.6179 NPC469330
Remote Similarity 0.6179 NPC7067
Remote Similarity 0.6174 NPC251722
Remote Similarity 0.6174 NPC125746
Remote Similarity 0.6174 NPC314102
Remote Similarity 0.6174 NPC469560
Remote Similarity 0.6172 NPC178681
Remote Similarity 0.6167 NPC30445
Remote Similarity 0.6161 NPC98976
Remote Similarity 0.6159 NPC162689
Remote Similarity 0.6159 NPC54102
Remote Similarity 0.6159 NPC226143
Remote Similarity 0.6154 NPC476140
Remote Similarity 0.6154 NPC104070
Remote Similarity 0.6149 NPC325599
Remote Similarity 0.6144 NPC470824
Remote Similarity 0.6144 NPC116519
Remote Similarity 0.6131 NPC148140
Remote Similarity 0.6127 NPC122718
Remote Similarity 0.6121 NPC231986
Remote Similarity 0.6118 NPC473868
Remote Similarity 0.6118 NPC63157
Remote Similarity 0.6106 NPC271642
Remote Similarity 0.6104 NPC285731
Remote Similarity 0.6104 NPC324445
Remote Similarity 0.6104 NPC469525
Remote Similarity 0.6102 NPC169016
Remote Similarity 0.6101 NPC84317
Remote Similarity 0.6087 NPC81561
Remote Similarity 0.6076 NPC295021
Remote Similarity 0.6054 NPC101165
Remote Similarity 0.6053 NPC59084
Remote Similarity 0.604 NPC471123
Remote Similarity 0.604 NPC198988
Remote Similarity 0.6029 NPC205652
Remote Similarity 0.6029 NPC470550
Remote Similarity 0.6026 NPC21605
Remote Similarity 0.6025 NPC154478
Remote Similarity 0.6017 NPC474088
Remote Similarity 0.6017 NPC119677
Remote Similarity 0.6013 NPC470823
Remote Similarity 0.6 NPC472100
Remote Similarity 0.6 NPC51054
Remote Similarity 0.6 NPC204141
Remote Similarity 0.6 NPC317564
Remote Similarity 0.6 NPC325252
Remote Similarity 0.5987 NPC88097
Remote Similarity 0.5987 NPC104483
Remote Similarity 0.5986 NPC476689
Remote Similarity 0.5986 NPC476687
Remote Similarity 0.5986 NPC476685
Remote Similarity 0.5976 NPC471130
Remote Similarity 0.5968 NPC473661
Remote Similarity 0.5962 NPC143872
Remote Similarity 0.596 NPC150259
Remote Similarity 0.5957 NPC215519
Remote Similarity 0.5951 NPC476231
Remote Similarity 0.5949 NPC40070
Remote Similarity 0.5949 NPC33421
Remote Similarity 0.5948 NPC477155
Remote Similarity 0.5948 NPC2949
Remote Similarity 0.5948 NPC238499
Remote Similarity 0.5938 NPC323726
Remote Similarity 0.5929 NPC299134
Remote Similarity 0.5929 NPC66775
Remote Similarity 0.5926 NPC318065
Remote Similarity 0.5926 NPC206819
Remote Similarity 0.5926 NPC475990
Remote Similarity 0.5924 NPC471957
Remote Similarity 0.5924 NPC109787
Remote Similarity 0.5917 NPC229477
Remote Similarity 0.5915 NPC138293
Remote Similarity 0.5915 NPC48564
Remote Similarity 0.5915 NPC182570
Remote Similarity 0.5915 NPC265605
Remote Similarity 0.5915 NPC113056
Remote Similarity 0.5912 NPC216713
Remote Similarity 0.5909 NPC469537
Remote Similarity 0.5909 NPC471196
Remote Similarity 0.5909 NPC471195
Remote Similarity 0.5906 NPC472258
Remote Similarity 0.5897 NPC264589
Remote Similarity 0.589 NPC328590
Remote Similarity 0.5887 NPC179605
Remote Similarity 0.5887 NPC316582
Remote Similarity 0.5887 NPC279385
Remote Similarity 0.5882 NPC471164
Remote Similarity 0.5882 NPC110126
Remote Similarity 0.5878 NPC194857
Remote Similarity 0.5878 NPC32858
Remote Similarity 0.5875 NPC471132
Remote Similarity 0.5875 NPC200214
Remote Similarity 0.5871 NPC477977
Remote Similarity 0.5871 NPC472103
Remote Similarity 0.5868 NPC91895
Remote Similarity 0.5864 NPC104345
Remote Similarity 0.5862 NPC12857
Remote Similarity 0.5857 NPC220698
Remote Similarity 0.5857 NPC228515
Remote Similarity 0.5854 NPC173991
Remote Similarity 0.5854 NPC88970
Remote Similarity 0.5849 NPC154602
Remote Similarity 0.5849 NPC243756
Remote Similarity 0.5845 NPC103292
Remote Similarity 0.5841 NPC244738
Remote Similarity 0.5839 NPC473297
Remote Similarity 0.5839 NPC476219
Remote Similarity 0.5839 NPC475450
Remote Similarity 0.5833 NPC46358
Remote Similarity 0.5833 NPC477556
Remote Similarity 0.5828 NPC267508
Remote Similarity 0.5822 NPC250361
Remote Similarity 0.5821 NPC77294
Remote Similarity 0.5814 NPC75496
Remote Similarity 0.5813 NPC122106
Remote Similarity 0.5813 NPC285381
Remote Similarity 0.5811 NPC473587
Remote Similarity 0.5806 NPC478040
Remote Similarity 0.5804 NPC268534
Remote Similarity 0.5804 NPC39818
Remote Similarity 0.5802 NPC477157
Remote Similarity 0.5802 NPC477156
Remote Similarity 0.58 NPC473930
Remote Similarity 0.5793 NPC52764
Remote Similarity 0.5789 NPC218268
Remote Similarity 0.5786 NPC37548
Remote Similarity 0.5783 NPC2165
Remote Similarity 0.5783 NPC195507

Drug Structure

External Identifiers

TTD   DIB002096
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  278.09
ALogP  0.5215
MLogP  3
XLogP  6.722
HDA  2
HBD  0
Rotatable Bonds  2
TPSA  40.9
RO5 Violation  1