Drug Information

Drug ID:  NPD634
Drug Name:  ONO-2506
Molecular Formula:  C11H22O2
Canonical SMILES:  CCCCCC[C@H](C(=O)O)CCC
Standard InCHI:  InChI=1S/C11H22O2/c1-3-5-6-7-9-10(8-4-2)11(12)13/h10H,3-9H2,1-2H3,(H,12,13)/t10-/m1/s1
Standard InCHIKey:  YCYMCMYLORLIJX-SNVBAGLBSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD634

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 1.0 NPC314679
High Similarity 0.9762 NPC55023
High Similarity 0.9545 NPC477878
High Similarity 0.9545 NPC324793
High Similarity 0.9318 NPC21844
High Similarity 0.9048 NPC248763
High Similarity 0.9048 NPC325452
High Similarity 0.8571 NPC301585
High Similarity 0.8571 NPC14227
High Similarity 0.8571 NPC113928
High Similarity 0.8571 NPC261080
High Similarity 0.8571 NPC154186
High Similarity 0.8571 NPC3531
High Similarity 0.8571 NPC72722
High Similarity 0.8571 NPC301696
High Similarity 0.8571 NPC279026
High Similarity 0.8571 NPC201844
Intermediate Similarity 0.8182 NPC307783
Intermediate Similarity 0.8182 NPC196924
Intermediate Similarity 0.8182 NPC216630
Intermediate Similarity 0.8182 NPC171736
Intermediate Similarity 0.8182 NPC149184
Intermediate Similarity 0.8182 NPC209970
Intermediate Similarity 0.814 NPC214610
Intermediate Similarity 0.814 NPC118968
Intermediate Similarity 0.814 NPC183424
Intermediate Similarity 0.814 NPC294085
Intermediate Similarity 0.8095 NPC252843
Intermediate Similarity 0.8 NPC67462
Intermediate Similarity 0.7959 NPC305182
Intermediate Similarity 0.7907 NPC268826
Intermediate Similarity 0.7857 NPC155263
Intermediate Similarity 0.7826 NPC19305
Intermediate Similarity 0.7826 NPC74845
Intermediate Similarity 0.7826 NPC255837
Intermediate Similarity 0.766 NPC8219
Intermediate Similarity 0.7636 NPC475821
Intermediate Similarity 0.7619 NPC156630
Intermediate Similarity 0.75 NPC305660
Intermediate Similarity 0.75 NPC22903
Intermediate Similarity 0.75 NPC201622
Intermediate Similarity 0.75 NPC12438
Intermediate Similarity 0.75 NPC54980
Intermediate Similarity 0.75 NPC30195
Intermediate Similarity 0.7451 NPC314084
Intermediate Similarity 0.7442 NPC134782
Intermediate Similarity 0.74 NPC476469
Intermediate Similarity 0.7391 NPC103286
Intermediate Similarity 0.7391 NPC163746
Intermediate Similarity 0.7358 NPC319589
Intermediate Similarity 0.7347 NPC328497
Intermediate Similarity 0.7347 NPC249754
Intermediate Similarity 0.7347 NPC324004
Intermediate Similarity 0.7333 NPC31551
Intermediate Similarity 0.7333 NPC219536
Intermediate Similarity 0.7321 NPC470363
Intermediate Similarity 0.7321 NPC469924
Intermediate Similarity 0.7241 NPC474552
Intermediate Similarity 0.7234 NPC301528
Intermediate Similarity 0.7234 NPC71317
Intermediate Similarity 0.7234 NPC129972
Intermediate Similarity 0.72 NPC131770
Intermediate Similarity 0.72 NPC106872
Intermediate Similarity 0.72 NPC13105
Intermediate Similarity 0.72 NPC200618
Intermediate Similarity 0.7193 NPC469921
Intermediate Similarity 0.7174 NPC256163
Intermediate Similarity 0.7174 NPC12156
Intermediate Similarity 0.7174 NPC149299
Intermediate Similarity 0.7174 NPC250028
Intermediate Similarity 0.7174 NPC28598
Intermediate Similarity 0.7174 NPC161097
Intermediate Similarity 0.7174 NPC40597
Intermediate Similarity 0.7143 NPC308301
Intermediate Similarity 0.7143 NPC175342
Intermediate Similarity 0.7143 NPC282440
Intermediate Similarity 0.7119 NPC470325
Intermediate Similarity 0.7119 NPC234767
Intermediate Similarity 0.7119 NPC53642
Intermediate Similarity 0.7111 NPC73245
Intermediate Similarity 0.7083 NPC317128
Intermediate Similarity 0.7069 NPC469923
Intermediate Similarity 0.7069 NPC174560
Intermediate Similarity 0.7069 NPC125312
Intermediate Similarity 0.7059 NPC304162
Intermediate Similarity 0.7021 NPC53541
Intermediate Similarity 0.7 NPC476330
Intermediate Similarity 0.7 NPC469791
Intermediate Similarity 0.7 NPC19311
Intermediate Similarity 0.7 NPC230047
Remote Similarity 0.6957 NPC80234
Remote Similarity 0.6957 NPC223249
Remote Similarity 0.6949 NPC235788
Remote Similarity 0.6923 NPC90904
Remote Similarity 0.6905 NPC280532
Remote Similarity 0.6897 NPC302188
Remote Similarity 0.6889 NPC177022
Remote Similarity 0.6885 NPC241949
Remote Similarity 0.6885 NPC268736
Remote Similarity 0.6885 NPC477931
Remote Similarity 0.6885 NPC42060
Remote Similarity 0.6875 NPC236579
Remote Similarity 0.6875 NPC203531
Remote Similarity 0.6875 NPC289686
Remote Similarity 0.6863 NPC180534
Remote Similarity 0.6833 NPC314103
Remote Similarity 0.6809 NPC165533
Remote Similarity 0.68 NPC166287
Remote Similarity 0.6792 NPC470412
Remote Similarity 0.6792 NPC470410
Remote Similarity 0.6774 NPC476626
Remote Similarity 0.6774 NPC474221
Remote Similarity 0.6774 NPC478180
Remote Similarity 0.6774 NPC41542
Remote Similarity 0.6774 NPC130459
Remote Similarity 0.6774 NPC286842
Remote Similarity 0.6774 NPC472875
Remote Similarity 0.6744 NPC328710
Remote Similarity 0.6744 NPC18224
Remote Similarity 0.6739 NPC316546
Remote Similarity 0.6739 NPC325454
Remote Similarity 0.6739 NPC38930
Remote Similarity 0.6739 NPC223315
Remote Similarity 0.6735 NPC76051
Remote Similarity 0.6731 NPC26253
Remote Similarity 0.6727 NPC87394
Remote Similarity 0.6724 NPC472019
Remote Similarity 0.6724 NPC472020
Remote Similarity 0.6724 NPC226602
Remote Similarity 0.6667 NPC281203
Remote Similarity 0.6667 NPC319279
Remote Similarity 0.6667 NPC281245
Remote Similarity 0.6667 NPC469724
Remote Similarity 0.6667 NPC319007
Remote Similarity 0.6667 NPC100917
Remote Similarity 0.6667 NPC470956
Remote Similarity 0.6667 NPC31187
Remote Similarity 0.6667 NPC476629
Remote Similarity 0.6667 NPC36616
Remote Similarity 0.6667 NPC328441
Remote Similarity 0.6667 NPC82315
Remote Similarity 0.6667 NPC476614
Remote Similarity 0.6667 NPC290445
Remote Similarity 0.661 NPC472021
Remote Similarity 0.661 NPC40206
Remote Similarity 0.661 NPC472328
Remote Similarity 0.661 NPC478126
Remote Similarity 0.6604 NPC50457
Remote Similarity 0.66 NPC469781
Remote Similarity 0.66 NPC287231
Remote Similarity 0.66 NPC47363
Remote Similarity 0.6596 NPC221022
Remote Similarity 0.6596 NPC141634
Remote Similarity 0.6596 NPC81263
Remote Similarity 0.6562 NPC252032
Remote Similarity 0.6562 NPC67608
Remote Similarity 0.6562 NPC196197
Remote Similarity 0.6562 NPC476734
Remote Similarity 0.6562 NPC469941
Remote Similarity 0.6562 NPC64466
Remote Similarity 0.6562 NPC98711
Remote Similarity 0.6562 NPC474962
Remote Similarity 0.6562 NPC319671
Remote Similarity 0.6552 NPC329819
Remote Similarity 0.6545 NPC36061
Remote Similarity 0.6545 NPC1813
Remote Similarity 0.6545 NPC139029
Remote Similarity 0.6545 NPC294548
Remote Similarity 0.6531 NPC18397
Remote Similarity 0.6522 NPC158179
Remote Similarity 0.6522 NPC109026
Remote Similarity 0.6522 NPC69245
Remote Similarity 0.6522 NPC14608
Remote Similarity 0.6508 NPC60120
Remote Similarity 0.6508 NPC469925
Remote Similarity 0.65 NPC306750
Remote Similarity 0.6481 NPC100096
Remote Similarity 0.6471 NPC63182
Remote Similarity 0.6471 NPC52700
Remote Similarity 0.6471 NPC145045
Remote Similarity 0.6471 NPC105329
Remote Similarity 0.6462 NPC470268
Remote Similarity 0.6462 NPC18543
Remote Similarity 0.6462 NPC91369
Remote Similarity 0.6462 NPC235586
Remote Similarity 0.6462 NPC477929
Remote Similarity 0.6462 NPC108131
Remote Similarity 0.6462 NPC477850
Remote Similarity 0.6458 NPC215118
Remote Similarity 0.6458 NPC45270
Remote Similarity 0.6458 NPC135077
Remote Similarity 0.6458 NPC59570
Remote Similarity 0.6444 NPC317203
Remote Similarity 0.6429 NPC151140
Remote Similarity 0.6429 NPC174368
Remote Similarity 0.6429 NPC53463
Remote Similarity 0.6429 NPC424
Remote Similarity 0.6429 NPC281972
Remote Similarity 0.6429 NPC122768
Remote Similarity 0.6429 NPC469937

Drug Structure

External Identifiers

TTD   DNC000660; DCL000905
DrugBank   DB05343
ChEMBL   CHEMBL3187683
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   208925
ChEBI  
CAS Number  185517-21-9

Drug Properties

Molecular Weight  186.16
ALogP  -1.2107
MLogP  2.45
XLogP  4.449
HDA  2
HBD  1
Rotatable Bonds  11
TPSA  37.3
RO5 Violation  0