Drug Information

Drug ID:  NPD207
Drug Name:  BCH-371
Molecular Formula:  C10H12N4O2S
Canonical SMILES:  OCC1OCC(S1)n1cnc2c1nccc2N
Standard InCHI:  InChI=1S/C10H12N4O2S/c11-6-1-2-12-10-9(6)13-5-14(10)7-4-16-8(3-15)17-7/h1-2,5,7-8,15H,3-4H2,(H2,11,12)
Standard InCHIKey:  PYENRHYDTMUBIE-UHFFFAOYSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD207

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 0.7366 NPC317054
Intermediate Similarity 0.7358 NPC107160
Intermediate Similarity 0.7127 NPC120070
Intermediate Similarity 0.7097 NPC125659
Intermediate Similarity 0.7097 NPC168702
Intermediate Similarity 0.7097 NPC21461
Intermediate Similarity 0.7095 NPC328479
Intermediate Similarity 0.7022 NPC136349
Remote Similarity 0.6906 NPC207633
Remote Similarity 0.6845 NPC253687
Remote Similarity 0.6811 NPC195140
Remote Similarity 0.6791 NPC250178
Remote Similarity 0.6748 NPC469308
Remote Similarity 0.6722 NPC42483
Remote Similarity 0.672 NPC324484
Remote Similarity 0.6684 NPC40530
Remote Similarity 0.6684 NPC314557
Remote Similarity 0.6684 NPC325906
Remote Similarity 0.6684 NPC314281
Remote Similarity 0.6667 NPC197068
Remote Similarity 0.6667 NPC317821
Remote Similarity 0.6653 NPC150447
Remote Similarity 0.6637 NPC160666
Remote Similarity 0.6622 NPC158055
Remote Similarity 0.6615 NPC315715
Remote Similarity 0.6603 NPC103388
Remote Similarity 0.6592 NPC229974
Remote Similarity 0.6573 NPC216159
Remote Similarity 0.6538 NPC309832
Remote Similarity 0.6522 NPC150853
Remote Similarity 0.6519 NPC107374
Remote Similarity 0.6519 NPC156461
Remote Similarity 0.6519 NPC21448
Remote Similarity 0.6517 NPC129756
Remote Similarity 0.651 NPC33382
Remote Similarity 0.6495 NPC222174
Remote Similarity 0.6489 NPC239737
Remote Similarity 0.6484 NPC189068
Remote Similarity 0.6484 NPC164665
Remote Similarity 0.648 NPC161659
Remote Similarity 0.648 NPC209525
Remote Similarity 0.6453 NPC472289
Remote Similarity 0.6452 NPC282531
Remote Similarity 0.6448 NPC269827
Remote Similarity 0.6448 NPC219313
Remote Similarity 0.6409 NPC314152
Remote Similarity 0.6392 NPC49217
Remote Similarity 0.6383 NPC469975
Remote Similarity 0.6369 NPC84268
Remote Similarity 0.6364 NPC472816
Remote Similarity 0.6354 NPC470204
Remote Similarity 0.6352 NPC316756
Remote Similarity 0.6326 NPC116555
Remote Similarity 0.6321 NPC470203
Remote Similarity 0.631 NPC185991
Remote Similarity 0.631 NPC211025
Remote Similarity 0.631 NPC85689
Remote Similarity 0.6309 NPC39092
Remote Similarity 0.6287 NPC270834
Remote Similarity 0.6284 NPC471603
Remote Similarity 0.6277 NPC321814
Remote Similarity 0.6256 NPC282247
Remote Similarity 0.6244 NPC91895
Remote Similarity 0.6244 NPC313514
Remote Similarity 0.6244 NPC267811
Remote Similarity 0.6243 NPC130586
Remote Similarity 0.6243 NPC302778
Remote Similarity 0.6243 NPC164952
Remote Similarity 0.6243 NPC212551
Remote Similarity 0.6237 NPC225018
Remote Similarity 0.6237 NPC121222
Remote Similarity 0.6232 NPC210123
Remote Similarity 0.623 NPC316618
Remote Similarity 0.6227 NPC50511
Remote Similarity 0.6223 NPC114209
Remote Similarity 0.6222 NPC130570
Remote Similarity 0.6211 NPC174802
Remote Similarity 0.6211 NPC216713
Remote Similarity 0.62 NPC189261
Remote Similarity 0.6195 NPC19170
Remote Similarity 0.6188 NPC33996
Remote Similarity 0.6186 NPC122141
Remote Similarity 0.6178 NPC253987
Remote Similarity 0.6178 NPC224076
Remote Similarity 0.6146 NPC226245
Remote Similarity 0.6139 NPC265710
Remote Similarity 0.6138 NPC161224
Remote Similarity 0.6134 NPC300238
Remote Similarity 0.6127 NPC48938
Remote Similarity 0.6122 NPC317105
Remote Similarity 0.6122 NPC478184
Remote Similarity 0.6114 NPC297862
Remote Similarity 0.6111 NPC214827
Remote Similarity 0.6111 NPC314930
Remote Similarity 0.6108 NPC16659
Remote Similarity 0.6103 NPC474767
Remote Similarity 0.6091 NPC54981
Remote Similarity 0.6089 NPC473380
Remote Similarity 0.6089 NPC240088
Remote Similarity 0.6087 NPC69843
Remote Similarity 0.6085 NPC63545
Remote Similarity 0.6082 NPC138018
Remote Similarity 0.6067 NPC104011
Remote Similarity 0.6066 NPC294693
Remote Similarity 0.6062 NPC476219
Remote Similarity 0.6062 NPC476297
Remote Similarity 0.6059 NPC12649
Remote Similarity 0.6053 NPC201380
Remote Similarity 0.6053 NPC469811
Remote Similarity 0.6053 NPC179787
Remote Similarity 0.6053 NPC471957
Remote Similarity 0.605 NPC470498
Remote Similarity 0.6049 NPC163055
Remote Similarity 0.6029 NPC24864
Remote Similarity 0.6028 NPC313421
Remote Similarity 0.6027 NPC475024
Remote Similarity 0.6021 NPC321911
Remote Similarity 0.6019 NPC284678
Remote Similarity 0.6019 NPC182507
Remote Similarity 0.6019 NPC108011
Remote Similarity 0.601 NPC52238
Remote Similarity 0.599 NPC323091
Remote Similarity 0.5982 NPC470732
Remote Similarity 0.5982 NPC470731
Remote Similarity 0.5979 NPC311197
Remote Similarity 0.5979 NPC54320
Remote Similarity 0.5979 NPC313754
Remote Similarity 0.5969 NPC293487
Remote Similarity 0.5969 NPC470111
Remote Similarity 0.5965 NPC327095
Remote Similarity 0.5965 NPC312942
Remote Similarity 0.596 NPC162268
Remote Similarity 0.5955 NPC71238
Remote Similarity 0.5951 NPC164228
Remote Similarity 0.595 NPC290959
Remote Similarity 0.5939 NPC473706
Remote Similarity 0.5939 NPC476817
Remote Similarity 0.5939 NPC40455
Remote Similarity 0.5931 NPC248454
Remote Similarity 0.5928 NPC200214
Remote Similarity 0.5928 NPC325903
Remote Similarity 0.5926 NPC190296
Remote Similarity 0.5923 NPC470323
Remote Similarity 0.5922 NPC307191
Remote Similarity 0.5922 NPC233936
Remote Similarity 0.5918 NPC469762
Remote Similarity 0.5918 NPC236711
Remote Similarity 0.5918 NPC124276
Remote Similarity 0.5913 NPC188387
Remote Similarity 0.5913 NPC163421
Remote Similarity 0.5912 NPC57279
Remote Similarity 0.5905 NPC156003
Remote Similarity 0.5902 NPC141377
Remote Similarity 0.5902 NPC471322
Remote Similarity 0.5902 NPC256893
Remote Similarity 0.59 NPC171393
Remote Similarity 0.59 NPC295452
Remote Similarity 0.5897 NPC267078
Remote Similarity 0.5897 NPC935
Remote Similarity 0.5893 NPC54744
Remote Similarity 0.5889 NPC75999
Remote Similarity 0.5887 NPC41982
Remote Similarity 0.5882 NPC136441
Remote Similarity 0.5882 NPC104049
Remote Similarity 0.5879 NPC478182
Remote Similarity 0.5879 NPC40779
Remote Similarity 0.5876 NPC472260
Remote Similarity 0.5876 NPC470823
Remote Similarity 0.5872 NPC474357
Remote Similarity 0.5872 NPC63279
Remote Similarity 0.5871 NPC319456
Remote Similarity 0.5867 NPC469785
Remote Similarity 0.5864 NPC285731
Remote Similarity 0.5864 NPC314372
Remote Similarity 0.5864 NPC159856
Remote Similarity 0.5862 NPC476492
Remote Similarity 0.5847 NPC297642
Remote Similarity 0.5845 NPC161887
Remote Similarity 0.5845 NPC219963
Remote Similarity 0.5842 NPC164664
Remote Similarity 0.5842 NPC32534
Remote Similarity 0.584 NPC30540
Remote Similarity 0.5838 NPC68938
Remote Similarity 0.5838 NPC212742
Remote Similarity 0.5837 NPC62510
Remote Similarity 0.5833 NPC143872
Remote Similarity 0.5829 NPC472288
Remote Similarity 0.5829 NPC478185
Remote Similarity 0.5826 NPC477420
Remote Similarity 0.5826 NPC477418
Remote Similarity 0.5821 NPC478183
Remote Similarity 0.5821 NPC54988
Remote Similarity 0.5821 NPC56233
Remote Similarity 0.5816 NPC93365
Remote Similarity 0.5808 NPC135141
Remote Similarity 0.5808 NPC92796
Remote Similarity 0.5805 NPC280852
Remote Similarity 0.5804 NPC320968
Remote Similarity 0.58 NPC78375
Remote Similarity 0.58 NPC476446

Drug Structure

External Identifiers

TTD   DIB001444
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  252.07
ALogP  -0.4729
MLogP  1.79
XLogP  -0.774
HDA  6
HBD  2
Rotatable Bonds  4
TPSA  111.49
RO5 Violation  0