Drug Information

Drug ID:  NPD317
Drug Name:  
Molecular Formula:  C10H15NO2
Canonical SMILES:  CNC(C(c1ccc(cc1)O)O)C
Standard InCHI:  InChI=1S/C10H15NO2/c1-7(11-2)10(13)8-3-5-9(12)6-4-8/h3-7,10-13H,1-2H3
Standard InCHIKey:  OXFGTKPPFSCSMA-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD317

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 0.9817 NPC10286
High Similarity 0.9817 NPC213
High Similarity 0.9266 NPC290566
High Similarity 0.9266 NPC145638
High Similarity 0.8957 NPC137096
High Similarity 0.8843 NPC236347
High Similarity 0.8843 NPC323775
High Similarity 0.8807 NPC304761
High Similarity 0.8807 NPC147000
High Similarity 0.8807 NPC150254
High Similarity 0.8807 NPC226778
High Similarity 0.8624 NPC327226
High Similarity 0.8595 NPC307020
High Similarity 0.8537 NPC322366
Intermediate Similarity 0.844 NPC125732
Intermediate Similarity 0.8417 NPC115627
Intermediate Similarity 0.8417 NPC118522
Intermediate Similarity 0.8417 NPC169207
Intermediate Similarity 0.8364 NPC155847
Intermediate Similarity 0.8364 NPC289381
Intermediate Similarity 0.8349 NPC303611
Intermediate Similarity 0.8349 NPC164514
Intermediate Similarity 0.8349 NPC290515
Intermediate Similarity 0.8349 NPC108606
Intermediate Similarity 0.8349 NPC226096
Intermediate Similarity 0.8346 NPC208757
Intermediate Similarity 0.825 NPC85276
Intermediate Similarity 0.8198 NPC228400
Intermediate Similarity 0.8198 NPC214200
Intermediate Similarity 0.8182 NPC283760
Intermediate Similarity 0.8165 NPC313650
Intermediate Similarity 0.8083 NPC188867
Intermediate Similarity 0.8083 NPC281686
Intermediate Similarity 0.8083 NPC106551
Intermediate Similarity 0.8073 NPC20142
Intermediate Similarity 0.8073 NPC215351
Intermediate Similarity 0.8053 NPC178902
Intermediate Similarity 0.8053 NPC68055
Intermediate Similarity 0.8016 NPC320242
Intermediate Similarity 0.7982 NPC325292
Intermediate Similarity 0.7982 NPC138117
Intermediate Similarity 0.7917 NPC118202
Intermediate Similarity 0.791 NPC168861
Intermediate Similarity 0.7899 NPC146422
Intermediate Similarity 0.7886 NPC239697
Intermediate Similarity 0.7876 NPC29601
Intermediate Similarity 0.7863 NPC97811
Intermediate Similarity 0.7851 NPC317254
Intermediate Similarity 0.7846 NPC329595
Intermediate Similarity 0.7846 NPC326599
Intermediate Similarity 0.7845 NPC231705
Intermediate Similarity 0.784 NPC474862
Intermediate Similarity 0.7798 NPC300478
Intermediate Similarity 0.7798 NPC300017
Intermediate Similarity 0.7797 NPC258056
Intermediate Similarity 0.7786 NPC307123
Intermediate Similarity 0.7786 NPC247018
Intermediate Similarity 0.7786 NPC97870
Intermediate Similarity 0.7778 NPC142297
Intermediate Similarity 0.7761 NPC214988
Intermediate Similarity 0.7744 NPC64205
Intermediate Similarity 0.7734 NPC136112
Intermediate Similarity 0.7734 NPC141739
Intermediate Similarity 0.7731 NPC474149
Intermediate Similarity 0.7721 NPC204546
Intermediate Similarity 0.7712 NPC153690
Intermediate Similarity 0.7699 NPC107619
Intermediate Similarity 0.7698 NPC27581
Intermediate Similarity 0.7686 NPC26524
Intermediate Similarity 0.7661 NPC317784
Intermediate Similarity 0.7661 NPC142638
Intermediate Similarity 0.7656 NPC62101
Intermediate Similarity 0.7656 NPC95733
Intermediate Similarity 0.7647 NPC24777
Intermediate Similarity 0.7642 NPC82963
Intermediate Similarity 0.7619 NPC56634
Intermediate Similarity 0.7615 NPC104216
Intermediate Similarity 0.7607 NPC42383
Intermediate Similarity 0.76 NPC319950
Intermediate Similarity 0.7597 NPC29477
Intermediate Similarity 0.7594 NPC267237
Intermediate Similarity 0.7581 NPC311737
Intermediate Similarity 0.7581 NPC38458
Intermediate Similarity 0.7563 NPC24101
Intermediate Similarity 0.7563 NPC96224
Intermediate Similarity 0.7541 NPC59387
Intermediate Similarity 0.7523 NPC23167
Intermediate Similarity 0.7519 NPC302171
Intermediate Similarity 0.7519 NPC171372
Intermediate Similarity 0.7519 NPC300020
Intermediate Similarity 0.7519 NPC33338
Intermediate Similarity 0.7518 NPC469360
Intermediate Similarity 0.748 NPC326079
Intermediate Similarity 0.748 NPC142599
Intermediate Similarity 0.7478 NPC128723
Intermediate Similarity 0.7478 NPC216468
Intermediate Similarity 0.7478 NPC51333
Intermediate Similarity 0.7478 NPC78119
Intermediate Similarity 0.7478 NPC132078
Intermediate Similarity 0.7466 NPC37205
Intermediate Similarity 0.7466 NPC160931
Intermediate Similarity 0.7462 NPC318965
Intermediate Similarity 0.7455 NPC25493
Intermediate Similarity 0.7455 NPC113460
Intermediate Similarity 0.7445 NPC197921
Intermediate Similarity 0.7444 NPC326966
Intermediate Similarity 0.7442 NPC211218
Intermediate Similarity 0.7442 NPC13020
Intermediate Similarity 0.7442 NPC140359
Intermediate Similarity 0.7431 NPC197783
Intermediate Similarity 0.7426 NPC473055
Intermediate Similarity 0.7426 NPC473052
Intermediate Similarity 0.7424 NPC325651
Intermediate Similarity 0.7422 NPC142577
Intermediate Similarity 0.7414 NPC213730
Intermediate Similarity 0.7391 NPC91953
Intermediate Similarity 0.7391 NPC251439
Intermediate Similarity 0.7391 NPC474073
Intermediate Similarity 0.7388 NPC149379
Intermediate Similarity 0.7388 NPC88667
Intermediate Similarity 0.7387 NPC258219
Intermediate Similarity 0.7387 NPC177420
Intermediate Similarity 0.7387 NPC318325
Intermediate Similarity 0.7387 NPC280347
Intermediate Similarity 0.7387 NPC123273
Intermediate Similarity 0.7387 NPC242240
Intermediate Similarity 0.7377 NPC21890
Intermediate Similarity 0.7373 NPC12278
Intermediate Similarity 0.7372 NPC322526
Intermediate Similarity 0.7372 NPC48202
Intermediate Similarity 0.7364 NPC298486
Intermediate Similarity 0.7355 NPC65855
Intermediate Similarity 0.7355 NPC292758
Intermediate Similarity 0.735 NPC91461
Intermediate Similarity 0.735 NPC40258
Intermediate Similarity 0.735 NPC7686
Intermediate Similarity 0.7348 NPC145888
Intermediate Similarity 0.7348 NPC16031
Intermediate Similarity 0.7348 NPC161593
Intermediate Similarity 0.7339 NPC248817
Intermediate Similarity 0.7339 NPC175313
Intermediate Similarity 0.7338 NPC326241
Intermediate Similarity 0.7333 NPC251306
Intermediate Similarity 0.7333 NPC186469
Intermediate Similarity 0.7328 NPC80027
Intermediate Similarity 0.7321 NPC55561
Intermediate Similarity 0.7311 NPC471350
Intermediate Similarity 0.7311 NPC154899
Intermediate Similarity 0.7311 NPC233396
Intermediate Similarity 0.7308 NPC328267
Intermediate Similarity 0.7308 NPC318777
Intermediate Similarity 0.7288 NPC305205
Intermediate Similarity 0.728 NPC101139
Intermediate Similarity 0.7279 NPC470441
Intermediate Similarity 0.7273 NPC476353
Intermediate Similarity 0.7266 NPC321133
Intermediate Similarity 0.7265 NPC130103
Intermediate Similarity 0.7257 NPC304541
Intermediate Similarity 0.7257 NPC45040
Intermediate Similarity 0.725 NPC92623
Intermediate Similarity 0.725 NPC135464
Intermediate Similarity 0.7248 NPC124436
Intermediate Similarity 0.7248 NPC265146
Intermediate Similarity 0.7241 NPC476742
Intermediate Similarity 0.7239 NPC474087
Intermediate Similarity 0.7218 NPC296712
Intermediate Similarity 0.7217 NPC26244
Intermediate Similarity 0.7209 NPC284078
Intermediate Similarity 0.7209 NPC318357
Intermediate Similarity 0.7207 NPC184169
Intermediate Similarity 0.7207 NPC407
Intermediate Similarity 0.7207 NPC307235
Intermediate Similarity 0.7203 NPC110764
Intermediate Similarity 0.7203 NPC471578
Intermediate Similarity 0.7203 NPC101025
Intermediate Similarity 0.72 NPC115803
Intermediate Similarity 0.7194 NPC170170
Intermediate Similarity 0.7194 NPC219233
Intermediate Similarity 0.7194 NPC211468
Intermediate Similarity 0.7192 NPC476741
Intermediate Similarity 0.719 NPC61033
Intermediate Similarity 0.719 NPC305603
Intermediate Similarity 0.7188 NPC43275
Intermediate Similarity 0.7185 NPC48909
Intermediate Similarity 0.7179 NPC100870
Intermediate Similarity 0.7168 NPC47950
Intermediate Similarity 0.7168 NPC312304
Intermediate Similarity 0.7167 NPC211551
Intermediate Similarity 0.7165 NPC120075
Intermediate Similarity 0.7164 NPC271808
Intermediate Similarity 0.7163 NPC266741
Intermediate Similarity 0.7155 NPC473388
Intermediate Similarity 0.7154 NPC475018
Intermediate Similarity 0.7153 NPC476743
Intermediate Similarity 0.7143 NPC305717
Intermediate Similarity 0.7143 NPC27974
Intermediate Similarity 0.7143 NPC323123
Intermediate Similarity 0.7132 NPC328070
Intermediate Similarity 0.7131 NPC317305
Intermediate Similarity 0.713 NPC316301

Drug Structure

External Identifiers

TTD   DIB009669
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  181.11
ALogP  -1.2882
MLogP  2.23
XLogP  0.924
HDA  2
HBD  3
Rotatable Bonds  7
TPSA  52.49
RO5 Violation  0