Drug Information

Drug ID:  NPD3507
Drug Name:  coluracetam
Molecular Formula:  C19H23N3O3
Canonical SMILES:  OC(=Nc1c2CCCCc2nc2c1c(C)c(o2)C)CN1CCCC1=O
Standard InCHI:  InChI=1S/C19H23N3O3/c1-11-12(2)25-19-17(11)18(13-6-3-4-7-14(13)20-19)21-15(23)10-22-9-5-8-16(22)24/h3-10H2,1-2H3,(H,20,21,23)
Standard InCHIKey:  PSPGQHXMUKWNDI-UHFFFAOYSA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD3507

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 0.7608 NPC269367
Intermediate Similarity 0.7591 NPC196718
Intermediate Similarity 0.7534 NPC194740
Intermediate Similarity 0.7511 NPC102593
Intermediate Similarity 0.7489 NPC244543
Intermediate Similarity 0.7465 NPC16066
Intermediate Similarity 0.7442 NPC131885
Intermediate Similarity 0.7431 NPC205372
Intermediate Similarity 0.7361 NPC303658
Intermediate Similarity 0.7327 NPC298436
Intermediate Similarity 0.7318 NPC97746
Intermediate Similarity 0.7273 NPC161801
Intermediate Similarity 0.7252 NPC478078
Intermediate Similarity 0.7244 NPC329631
Intermediate Similarity 0.7235 NPC305984
Intermediate Similarity 0.7222 NPC67659
Intermediate Similarity 0.722 NPC471762
Intermediate Similarity 0.7215 NPC323969
Intermediate Similarity 0.7209 NPC472098
Intermediate Similarity 0.7175 NPC157931
Intermediate Similarity 0.7175 NPC140296
Intermediate Similarity 0.7169 NPC288987
Intermediate Similarity 0.7157 NPC45389
Intermediate Similarity 0.7156 NPC41216
Intermediate Similarity 0.7143 NPC75179
Intermediate Similarity 0.713 NPC264176
Intermediate Similarity 0.7081 NPC112937
Intermediate Similarity 0.7074 NPC184680
Intermediate Similarity 0.7067 NPC66777
Intermediate Similarity 0.7043 NPC470785
Intermediate Similarity 0.7043 NPC470784
Intermediate Similarity 0.7043 NPC474183
Intermediate Similarity 0.7029 NPC258048
Intermediate Similarity 0.7028 NPC295898
Intermediate Similarity 0.7022 NPC257851
Intermediate Similarity 0.7009 NPC58209
Intermediate Similarity 0.7004 NPC217176
Remote Similarity 0.6996 NPC188400
Remote Similarity 0.6992 NPC165964
Remote Similarity 0.6991 NPC311906
Remote Similarity 0.6987 NPC34770
Remote Similarity 0.6972 NPC38237
Remote Similarity 0.6971 NPC185197
Remote Similarity 0.697 NPC101350
Remote Similarity 0.697 NPC131486
Remote Similarity 0.6964 NPC122436
Remote Similarity 0.6959 NPC471304
Remote Similarity 0.6953 NPC166712
Remote Similarity 0.694 NPC168922
Remote Similarity 0.6937 NPC269270
Remote Similarity 0.6935 NPC191310
Remote Similarity 0.6933 NPC473449
Remote Similarity 0.693 NPC313280
Remote Similarity 0.6926 NPC235685
Remote Similarity 0.6923 NPC208364
Remote Similarity 0.6923 NPC160100
Remote Similarity 0.6917 NPC53534
Remote Similarity 0.6916 NPC317572
Remote Similarity 0.6906 NPC472099
Remote Similarity 0.6906 NPC128115
Remote Similarity 0.6906 NPC14686
Remote Similarity 0.69 NPC473186
Remote Similarity 0.6898 NPC270918
Remote Similarity 0.6894 NPC78609
Remote Similarity 0.6892 NPC473041
Remote Similarity 0.6892 NPC96321
Remote Similarity 0.6891 NPC133609
Remote Similarity 0.6889 NPC322482
Remote Similarity 0.6889 NPC314633
Remote Similarity 0.6878 NPC152768
Remote Similarity 0.6878 NPC63971
Remote Similarity 0.6878 NPC322064
Remote Similarity 0.6878 NPC91868
Remote Similarity 0.6878 NPC148183
Remote Similarity 0.6867 NPC475816
Remote Similarity 0.6862 NPC189079
Remote Similarity 0.6856 NPC260434
Remote Similarity 0.6849 NPC146418
Remote Similarity 0.6845 NPC194040
Remote Similarity 0.6844 NPC216612
Remote Similarity 0.684 NPC253675
Remote Similarity 0.684 NPC39370
Remote Similarity 0.6838 NPC148889
Remote Similarity 0.6838 NPC314222
Remote Similarity 0.6838 NPC196449
Remote Similarity 0.6835 NPC469589
Remote Similarity 0.6833 NPC477979
Remote Similarity 0.682 NPC67401
Remote Similarity 0.6818 NPC110182
Remote Similarity 0.6809 NPC72905
Remote Similarity 0.6807 NPC173250
Remote Similarity 0.6805 NPC303374
Remote Similarity 0.68 NPC60621
Remote Similarity 0.6793 NPC72715
Remote Similarity 0.6789 NPC287208
Remote Similarity 0.6787 NPC232225
Remote Similarity 0.6782 NPC84347
Remote Similarity 0.6781 NPC240384
Remote Similarity 0.6781 NPC477587
Remote Similarity 0.6781 NPC477589
Remote Similarity 0.6779 NPC221873
Remote Similarity 0.6778 NPC203373
Remote Similarity 0.6774 NPC277350
Remote Similarity 0.6773 NPC87413
Remote Similarity 0.6765 NPC1608
Remote Similarity 0.6759 NPC134848
Remote Similarity 0.6758 NPC174758
Remote Similarity 0.6758 NPC174672
Remote Similarity 0.6749 NPC283152
Remote Similarity 0.6743 NPC321428
Remote Similarity 0.6743 NPC53344
Remote Similarity 0.6743 NPC193238
Remote Similarity 0.6743 NPC249583
Remote Similarity 0.6743 NPC4687
Remote Similarity 0.6738 NPC477549
Remote Similarity 0.6738 NPC473187
Remote Similarity 0.6728 NPC132539
Remote Similarity 0.6728 NPC327592
Remote Similarity 0.6727 NPC309845
Remote Similarity 0.6727 NPC470020
Remote Similarity 0.6726 NPC198503
Remote Similarity 0.6724 NPC172222
Remote Similarity 0.6724 NPC141053
Remote Similarity 0.6723 NPC477586
Remote Similarity 0.6723 NPC41501
Remote Similarity 0.6723 NPC477590
Remote Similarity 0.6723 NPC477588
Remote Similarity 0.6723 NPC477585
Remote Similarity 0.6712 NPC471080
Remote Similarity 0.6712 NPC82548
Remote Similarity 0.6712 NPC469592
Remote Similarity 0.6708 NPC478083
Remote Similarity 0.6708 NPC13603
Remote Similarity 0.6697 NPC472286
Remote Similarity 0.6697 NPC300156
Remote Similarity 0.6697 NPC45190
Remote Similarity 0.6697 NPC472287
Remote Similarity 0.6697 NPC220337
Remote Similarity 0.6697 NPC317373
Remote Similarity 0.6696 NPC220851
Remote Similarity 0.6696 NPC246381
Remote Similarity 0.6681 NPC150239
Remote Similarity 0.6681 NPC276657
Remote Similarity 0.6681 NPC474192
Remote Similarity 0.6681 NPC49547
Remote Similarity 0.6681 NPC475720
Remote Similarity 0.668 NPC152620
Remote Similarity 0.668 NPC101312
Remote Similarity 0.6667 NPC53255
Remote Similarity 0.6667 NPC326930
Remote Similarity 0.6667 NPC85879
Remote Similarity 0.6667 NPC472116
Remote Similarity 0.6667 NPC475301
Remote Similarity 0.6667 NPC264285
Remote Similarity 0.6667 NPC474428
Remote Similarity 0.6653 NPC178858
Remote Similarity 0.6652 NPC74575
Remote Similarity 0.6652 NPC473105
Remote Similarity 0.6652 NPC280799
Remote Similarity 0.6652 NPC85702
Remote Similarity 0.6651 NPC79293
Remote Similarity 0.6651 NPC279401
Remote Similarity 0.6651 NPC206186
Remote Similarity 0.665 NPC270301
Remote Similarity 0.6639 NPC120513
Remote Similarity 0.6639 NPC142385
Remote Similarity 0.6638 NPC21638
Remote Similarity 0.6638 NPC472061
Remote Similarity 0.6637 NPC316181
Remote Similarity 0.6637 NPC324361
Remote Similarity 0.6637 NPC74562
Remote Similarity 0.6637 NPC151781
Remote Similarity 0.6635 NPC282103
Remote Similarity 0.6626 NPC329982
Remote Similarity 0.6622 NPC312645
Remote Similarity 0.6622 NPC187501
Remote Similarity 0.6621 NPC472111
Remote Similarity 0.6618 NPC288943
Remote Similarity 0.6612 NPC137353
Remote Similarity 0.6609 NPC470018
Remote Similarity 0.6608 NPC469439
Remote Similarity 0.6607 NPC237740
Remote Similarity 0.6606 NPC475774
Remote Similarity 0.6605 NPC100863
Remote Similarity 0.6605 NPC239954
Remote Similarity 0.6604 NPC56170
Remote Similarity 0.6603 NPC478077
Remote Similarity 0.6593 NPC184408
Remote Similarity 0.6593 NPC247803
Remote Similarity 0.6593 NPC469594
Remote Similarity 0.6592 NPC473493
Remote Similarity 0.6592 NPC308137
Remote Similarity 0.6592 NPC318299
Remote Similarity 0.6592 NPC310211
Remote Similarity 0.6591 NPC315545
Remote Similarity 0.6591 NPC314297
Remote Similarity 0.6591 NPC243850
Remote Similarity 0.659 NPC471944
Remote Similarity 0.6585 NPC211997
Remote Similarity 0.6583 NPC177404

Drug Structure

External Identifiers

TTD   DIB009980
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  341.17
ALogP  -0.4904
MLogP  2.89
XLogP  2.469
HDA  5
HBD  1
Rotatable Bonds  6
TPSA  78.93
RO5 Violation  0