Drug Information

Drug ID:  NPD1357
Drug Name:  Stiripentol
Molecular Formula:  C14H18O3
Canonical SMILES:  OC(C(C)(C)C)/C=C/c1ccc2c(c1)OCO2
Standard InCHI:  InChI=1S/C14H18O3/c1-14(2,3)13(15)7-5-10-4-6-11-12(8-10)17-9-16-11/h4-8,13,15H,9H2,1-3H3/b7-5+
Standard InCHIKey:  IBLNKMRFIPWSOY-FNORWQNLSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD1357

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
High Similarity 0.9099 NPC127326
High Similarity 0.8919 NPC227894
High Similarity 0.885 NPC31279
High Similarity 0.885 NPC137685
High Similarity 0.8772 NPC78918
High Similarity 0.8772 NPC139617
High Similarity 0.8772 NPC55300
High Similarity 0.876 NPC249788
High Similarity 0.8699 NPC473960
High Similarity 0.8696 NPC165646
High Similarity 0.8655 NPC57501
High Similarity 0.8644 NPC164386
High Similarity 0.8596 NPC7097
High Similarity 0.8596 NPC36108
High Similarity 0.8596 NPC233731
High Similarity 0.8596 NPC246358
High Similarity 0.8583 NPC104077
High Similarity 0.8583 NPC106739
High Similarity 0.8583 NPC147616
High Similarity 0.8583 NPC219671
High Similarity 0.8583 NPC252833
High Similarity 0.8583 NPC259742
High Similarity 0.8559 NPC111225
High Similarity 0.8548 NPC213711
High Similarity 0.8548 NPC274356
High Similarity 0.8548 NPC40352
High Similarity 0.8537 NPC300955
High Similarity 0.8516 NPC25821
High Similarity 0.8516 NPC6836
High Similarity 0.85 NPC135961
High Similarity 0.85 NPC311595
High Similarity 0.85 NPC69670
High Similarity 0.85 NPC24474
Intermediate Similarity 0.8492 NPC248355
Intermediate Similarity 0.8492 NPC166040
Intermediate Similarity 0.8492 NPC307110
Intermediate Similarity 0.8487 NPC33271
Intermediate Similarity 0.8487 NPC212643
Intermediate Similarity 0.8487 NPC199209
Intermediate Similarity 0.8468 NPC170583
Intermediate Similarity 0.8468 NPC310905
Intermediate Similarity 0.8468 NPC182147
Intermediate Similarity 0.8468 NPC152186
Intermediate Similarity 0.8468 NPC71105
Intermediate Similarity 0.8468 NPC207541
Intermediate Similarity 0.8468 NPC246133
Intermediate Similarity 0.8468 NPC12714
Intermediate Similarity 0.845 NPC470881
Intermediate Similarity 0.8448 NPC173746
Intermediate Similarity 0.8448 NPC156840
Intermediate Similarity 0.8448 NPC8547
Intermediate Similarity 0.8448 NPC257124
Intermediate Similarity 0.8443 NPC193484
Intermediate Similarity 0.8443 NPC114845
Intermediate Similarity 0.8438 NPC471505
Intermediate Similarity 0.8438 NPC97316
Intermediate Similarity 0.843 NPC344161
Intermediate Similarity 0.8425 NPC275950
Intermediate Similarity 0.8425 NPC181079
Intermediate Similarity 0.8425 NPC173308
Intermediate Similarity 0.8421 NPC258171
Intermediate Similarity 0.8417 NPC255675
Intermediate Similarity 0.8417 NPC474214
Intermediate Similarity 0.8413 NPC302378
Intermediate Similarity 0.8403 NPC221049
Intermediate Similarity 0.84 NPC156944
Intermediate Similarity 0.84 NPC251466
Intermediate Similarity 0.8385 NPC174191
Intermediate Similarity 0.8385 NPC184938
Intermediate Similarity 0.8385 NPC101624
Intermediate Similarity 0.8372 NPC58585
Intermediate Similarity 0.8372 NPC112237
Intermediate Similarity 0.8372 NPC169973
Intermediate Similarity 0.8361 NPC207613
Intermediate Similarity 0.8359 NPC65942
Intermediate Similarity 0.8359 NPC248307
Intermediate Similarity 0.8359 NPC476345
Intermediate Similarity 0.8347 NPC320987
Intermediate Similarity 0.8347 NPC181969
Intermediate Similarity 0.8347 NPC474320
Intermediate Similarity 0.8347 NPC119949
Intermediate Similarity 0.8346 NPC470633
Intermediate Similarity 0.8346 NPC26653
Intermediate Similarity 0.8346 NPC228769
Intermediate Similarity 0.8346 NPC270849
Intermediate Similarity 0.8333 NPC157740
Intermediate Similarity 0.8333 NPC191302
Intermediate Similarity 0.8333 NPC41331
Intermediate Similarity 0.8333 NPC291449
Intermediate Similarity 0.8333 NPC99798
Intermediate Similarity 0.8321 NPC25695
Intermediate Similarity 0.8321 NPC172818
Intermediate Similarity 0.832 NPC85830
Intermediate Similarity 0.8319 NPC292792
Intermediate Similarity 0.8293 NPC312675
Intermediate Similarity 0.8293 NPC473853
Intermediate Similarity 0.8293 NPC343720
Intermediate Similarity 0.8293 NPC80241
Intermediate Similarity 0.8293 NPC470804
Intermediate Similarity 0.8293 NPC301641
Intermediate Similarity 0.8293 NPC54872
Intermediate Similarity 0.8293 NPC470212
Intermediate Similarity 0.8293 NPC324571
Intermediate Similarity 0.8293 NPC476343
Intermediate Similarity 0.8293 NPC113865
Intermediate Similarity 0.8293 NPC184651
Intermediate Similarity 0.8293 NPC262156
Intermediate Similarity 0.8281 NPC80600
Intermediate Similarity 0.8281 NPC63574
Intermediate Similarity 0.8281 NPC134764
Intermediate Similarity 0.8281 NPC171550
Intermediate Similarity 0.8281 NPC472024
Intermediate Similarity 0.8279 NPC35071
Intermediate Similarity 0.8279 NPC177475
Intermediate Similarity 0.8279 NPC148615
Intermediate Similarity 0.8268 NPC147247
Intermediate Similarity 0.8268 NPC246974
Intermediate Similarity 0.8264 NPC474040
Intermediate Similarity 0.8258 NPC195196
Intermediate Similarity 0.8244 NPC135777
Intermediate Similarity 0.8244 NPC18576
Intermediate Similarity 0.8244 NPC142547
Intermediate Similarity 0.8235 NPC294941
Intermediate Similarity 0.8231 NPC196937
Intermediate Similarity 0.8231 NPC473463
Intermediate Similarity 0.8231 NPC49074
Intermediate Similarity 0.8231 NPC132895
Intermediate Similarity 0.8226 NPC256167
Intermediate Similarity 0.8211 NPC204466
Intermediate Similarity 0.8197 NPC37858
Intermediate Similarity 0.8197 NPC477803
Intermediate Similarity 0.8195 NPC226005
Intermediate Similarity 0.8182 NPC39793
Intermediate Similarity 0.8182 NPC293619
Intermediate Similarity 0.8168 NPC47181
Intermediate Similarity 0.8168 NPC35731
Intermediate Similarity 0.816 NPC317769
Intermediate Similarity 0.816 NPC31344
Intermediate Similarity 0.816 NPC471693
Intermediate Similarity 0.8154 NPC299144
Intermediate Similarity 0.8154 NPC470270
Intermediate Similarity 0.8154 NPC162093
Intermediate Similarity 0.8154 NPC227002
Intermediate Similarity 0.8145 NPC70752
Intermediate Similarity 0.8145 NPC290451
Intermediate Similarity 0.8145 NPC127389
Intermediate Similarity 0.814 NPC184814
Intermediate Similarity 0.8136 NPC195873
Intermediate Similarity 0.813 NPC202474
Intermediate Similarity 0.813 NPC229401
Intermediate Similarity 0.8125 NPC158471
Intermediate Similarity 0.8125 NPC226862
Intermediate Similarity 0.8125 NPC165128
Intermediate Similarity 0.8125 NPC470084
Intermediate Similarity 0.8125 NPC469977
Intermediate Similarity 0.8125 NPC57119
Intermediate Similarity 0.812 NPC474039
Intermediate Similarity 0.8115 NPC470626
Intermediate Similarity 0.8115 NPC70744
Intermediate Similarity 0.8115 NPC137537
Intermediate Similarity 0.8115 NPC164706
Intermediate Similarity 0.8115 NPC272471
Intermediate Similarity 0.8115 NPC63083
Intermediate Similarity 0.8115 NPC107588
Intermediate Similarity 0.811 NPC206882
Intermediate Similarity 0.8095 NPC48990
Intermediate Similarity 0.8095 NPC94276
Intermediate Similarity 0.8095 NPC109822
Intermediate Similarity 0.8095 NPC293701
Intermediate Similarity 0.8095 NPC114901
Intermediate Similarity 0.8092 NPC471390
Intermediate Similarity 0.8092 NPC471391
Intermediate Similarity 0.808 NPC209567
Intermediate Similarity 0.808 NPC71090
Intermediate Similarity 0.808 NPC85488
Intermediate Similarity 0.8077 NPC9912
Intermediate Similarity 0.8074 NPC472711
Intermediate Similarity 0.8065 NPC199023
Intermediate Similarity 0.8062 NPC475875
Intermediate Similarity 0.8062 NPC470706
Intermediate Similarity 0.806 NPC193666
Intermediate Similarity 0.806 NPC123526
Intermediate Similarity 0.806 NPC88640
Intermediate Similarity 0.8051 NPC46844
Intermediate Similarity 0.8051 NPC179309
Intermediate Similarity 0.8049 NPC281298
Intermediate Similarity 0.8049 NPC310338
Intermediate Similarity 0.8047 NPC158737
Intermediate Similarity 0.8045 NPC199459
Intermediate Similarity 0.8045 NPC164857
Intermediate Similarity 0.8045 NPC37468
Intermediate Similarity 0.8045 NPC177035
Intermediate Similarity 0.8045 NPC157554
Intermediate Similarity 0.8045 NPC52277
Intermediate Similarity 0.8033 NPC280001
Intermediate Similarity 0.8033 NPC259638
Intermediate Similarity 0.8031 NPC194519
Intermediate Similarity 0.8031 NPC148627
Intermediate Similarity 0.8031 NPC17348
Intermediate Similarity 0.803 NPC107478

Drug Structure

External Identifiers

TTD   DIB013227
DrugBank   DB09118
ChEMBL   CHEMBL1983350
IUPHAR/BPS   5469
PharmaGKB  
KEGG Drug  
PubChem CID   5311454
ChEBI  
CAS Number  49763-96-4

Drug Properties

Molecular Weight  234.13
ALogP  1.2106
MLogP  2.67
XLogP  3.157
HDA  1
HBD  1
Rotatable Bonds  7
TPSA  38.69
RO5 Violation  0