Drug Information

Drug ID:  NPD1712
Drug Name:  Tasimelteon
Molecular Formula:  C15H19NO2
Canonical SMILES:  CCC(=NC[C@@H]1C[C@H]1c1cccc2c1CCO2)O
Standard InCHI:  InChI=1S/C15H19NO2/c1-2-15(17)16-9-10-8-13(10)11-4-3-5-14-12(11)6-7-18-14/h3-5,10,13H,2,6-9H2,1H3,(H,16,17)/t10-,13+/m0/s1
Standard InCHIKey:  PTOIAAWZLUQTIO-GXFFZTMASA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD1712

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 0.8268 NPC289330
Intermediate Similarity 0.8268 NPC17388
Intermediate Similarity 0.8268 NPC53596
Intermediate Similarity 0.8268 NPC471308
Intermediate Similarity 0.8268 NPC160120
Intermediate Similarity 0.8217 NPC471315
Intermediate Similarity 0.8217 NPC471314
Intermediate Similarity 0.7984 NPC263835
Intermediate Similarity 0.791 NPC191302
Intermediate Similarity 0.784 NPC166837
Intermediate Similarity 0.7829 NPC329980
Intermediate Similarity 0.7769 NPC43275
Intermediate Similarity 0.7721 NPC147247
Intermediate Similarity 0.7721 NPC246974
Intermediate Similarity 0.771 NPC321133
Intermediate Similarity 0.7698 NPC218530
Intermediate Similarity 0.7652 NPC96423
Intermediate Similarity 0.7647 NPC99798
Intermediate Similarity 0.7647 NPC153990
Intermediate Similarity 0.7647 NPC157740
Intermediate Similarity 0.7634 NPC256369
Intermediate Similarity 0.7623 NPC24327
Intermediate Similarity 0.7623 NPC12870
Intermediate Similarity 0.7609 NPC114102
Intermediate Similarity 0.7583 NPC95755
Intermediate Similarity 0.7574 NPC301713
Intermediate Similarity 0.7574 NPC251466
Intermediate Similarity 0.7574 NPC156944
Intermediate Similarity 0.7561 NPC38079
Intermediate Similarity 0.7561 NPC108875
Intermediate Similarity 0.7559 NPC275627
Intermediate Similarity 0.7557 NPC283616
Intermediate Similarity 0.7556 NPC300955
Intermediate Similarity 0.7556 NPC95733
Intermediate Similarity 0.7556 NPC62101
Intermediate Similarity 0.7554 NPC130595
Intermediate Similarity 0.7554 NPC470392
Intermediate Similarity 0.7554 NPC93882
Intermediate Similarity 0.7537 NPC188997
Intermediate Similarity 0.7537 NPC150026
Intermediate Similarity 0.752 NPC233320
Intermediate Similarity 0.7519 NPC470837
Intermediate Similarity 0.7519 NPC475529
Intermediate Similarity 0.7518 NPC291449
Intermediate Similarity 0.7518 NPC251571
Intermediate Similarity 0.7518 NPC264956
Intermediate Similarity 0.7518 NPC469386
Intermediate Similarity 0.7518 NPC41331
Intermediate Similarity 0.75 NPC280760
Intermediate Similarity 0.75 NPC470393
Intermediate Similarity 0.75 NPC182147
Intermediate Similarity 0.75 NPC170583
Intermediate Similarity 0.75 NPC29477
Intermediate Similarity 0.75 NPC152186
Intermediate Similarity 0.75 NPC71105
Intermediate Similarity 0.75 NPC207541
Intermediate Similarity 0.75 NPC246133
Intermediate Similarity 0.75 NPC313737
Intermediate Similarity 0.75 NPC285078
Intermediate Similarity 0.75 NPC51341
Intermediate Similarity 0.75 NPC275150
Intermediate Similarity 0.75 NPC6854
Intermediate Similarity 0.7482 NPC196193
Intermediate Similarity 0.7482 NPC255550
Intermediate Similarity 0.7482 NPC308885
Intermediate Similarity 0.7482 NPC325003
Intermediate Similarity 0.7482 NPC11089
Intermediate Similarity 0.7481 NPC211218
Intermediate Similarity 0.7481 NPC261992
Intermediate Similarity 0.748 NPC474149
Intermediate Similarity 0.7464 NPC155838
Intermediate Similarity 0.7463 NPC48623
Intermediate Similarity 0.7463 NPC168707
Intermediate Similarity 0.7444 NPC474131
Intermediate Similarity 0.7442 NPC26524
Intermediate Similarity 0.744 NPC30416
Intermediate Similarity 0.7431 NPC83289
Intermediate Similarity 0.7431 NPC212850
Intermediate Similarity 0.7431 NPC189724
Intermediate Similarity 0.7429 NPC274732
Intermediate Similarity 0.7429 NPC214869
Intermediate Similarity 0.7429 NPC471953
Intermediate Similarity 0.7415 NPC313414
Intermediate Similarity 0.7415 NPC327623
Intermediate Similarity 0.7413 NPC471316
Intermediate Similarity 0.7413 NPC231163
Intermediate Similarity 0.7413 NPC318591
Intermediate Similarity 0.741 NPC266868
Intermediate Similarity 0.741 NPC52029
Intermediate Similarity 0.741 NPC35961
Intermediate Similarity 0.741 NPC195749
Intermediate Similarity 0.7407 NPC152946
Intermediate Similarity 0.7389 NPC90984
Intermediate Similarity 0.7388 NPC45663
Intermediate Similarity 0.7381 NPC194034
Intermediate Similarity 0.7381 NPC186469
Intermediate Similarity 0.7376 NPC169766
Intermediate Similarity 0.7372 NPC81641
Intermediate Similarity 0.7368 NPC38181
Intermediate Similarity 0.7368 NPC32152
Intermediate Similarity 0.7368 NPC471449
Intermediate Similarity 0.7368 NPC20230
Intermediate Similarity 0.7364 NPC474920
Intermediate Similarity 0.7364 NPC98372
Intermediate Similarity 0.7351 NPC474560
Intermediate Similarity 0.7348 NPC187993
Intermediate Similarity 0.7348 NPC238176
Intermediate Similarity 0.7338 NPC469977
Intermediate Similarity 0.7328 NPC303370
Intermediate Similarity 0.7328 NPC473718
Intermediate Similarity 0.7323 NPC75440
Intermediate Similarity 0.7323 NPC241549
Intermediate Similarity 0.7323 NPC146530
Intermediate Similarity 0.7313 NPC232295
Intermediate Similarity 0.731 NPC477838
Intermediate Similarity 0.731 NPC477837
Intermediate Similarity 0.731 NPC77572
Intermediate Similarity 0.7305 NPC97870
Intermediate Similarity 0.7305 NPC307123
Intermediate Similarity 0.7305 NPC247018
Intermediate Similarity 0.7302 NPC231705
Intermediate Similarity 0.7302 NPC326801
Intermediate Similarity 0.7299 NPC61685
Intermediate Similarity 0.7299 NPC248557
Intermediate Similarity 0.7297 NPC5462
Intermediate Similarity 0.7295 NPC470161
Intermediate Similarity 0.7293 NPC5932
Intermediate Similarity 0.7293 NPC63010
Intermediate Similarity 0.7292 NPC14600
Intermediate Similarity 0.7292 NPC160607
Intermediate Similarity 0.7292 NPC204848
Intermediate Similarity 0.7292 NPC41473
Intermediate Similarity 0.7292 NPC312770
Intermediate Similarity 0.7287 NPC470723
Intermediate Similarity 0.7287 NPC21890
Intermediate Similarity 0.7286 NPC470706
Intermediate Similarity 0.7279 NPC74137
Intermediate Similarity 0.7273 NPC290470
Intermediate Similarity 0.7273 NPC154256
Intermediate Similarity 0.7273 NPC69539
Intermediate Similarity 0.7266 NPC186898
Intermediate Similarity 0.7266 NPC258056
Intermediate Similarity 0.7259 NPC473875
Intermediate Similarity 0.7259 NPC129176
Intermediate Similarity 0.7259 NPC212559
Intermediate Similarity 0.7259 NPC322569
Intermediate Similarity 0.7258 NPC51633
Intermediate Similarity 0.7254 NPC105541
Intermediate Similarity 0.7254 NPC230219
Intermediate Similarity 0.7246 NPC141739
Intermediate Similarity 0.7246 NPC136112
Intermediate Similarity 0.7246 NPC4286
Intermediate Similarity 0.7246 NPC76119
Intermediate Similarity 0.7241 NPC299583
Intermediate Similarity 0.7236 NPC100870
Intermediate Similarity 0.7234 NPC249425
Intermediate Similarity 0.7234 NPC476570
Intermediate Similarity 0.7231 NPC228452
Intermediate Similarity 0.723 NPC247298
Intermediate Similarity 0.7226 NPC40389
Intermediate Similarity 0.7226 NPC78359
Intermediate Similarity 0.7226 NPC65490
Intermediate Similarity 0.7226 NPC129603
Intermediate Similarity 0.7226 NPC148014
Intermediate Similarity 0.7226 NPC315707
Intermediate Similarity 0.7226 NPC31344
Intermediate Similarity 0.7226 NPC317769
Intermediate Similarity 0.7222 NPC11727
Intermediate Similarity 0.7222 NPC15109
Intermediate Similarity 0.7209 NPC137685
Intermediate Similarity 0.7208 NPC87363
Intermediate Similarity 0.7206 NPC475839
Intermediate Similarity 0.7206 NPC211992
Intermediate Similarity 0.7203 NPC26394
Intermediate Similarity 0.72 NPC115144
Intermediate Similarity 0.72 NPC192596
Intermediate Similarity 0.72 NPC277857
Intermediate Similarity 0.72 NPC178902
Intermediate Similarity 0.7197 NPC808
Intermediate Similarity 0.7197 NPC283169
Intermediate Similarity 0.7197 NPC301321
Intermediate Similarity 0.719 NPC275027
Intermediate Similarity 0.7188 NPC201959
Intermediate Similarity 0.7188 NPC309982
Intermediate Similarity 0.7183 NPC153019
Intermediate Similarity 0.7179 NPC22014
Intermediate Similarity 0.7176 NPC141003
Intermediate Similarity 0.7176 NPC35344
Intermediate Similarity 0.7172 NPC126101
Intermediate Similarity 0.7172 NPC254610
Intermediate Similarity 0.7164 NPC474040
Intermediate Similarity 0.7164 NPC139047
Intermediate Similarity 0.7163 NPC472797
Intermediate Similarity 0.7154 NPC195873
Intermediate Similarity 0.7154 NPC55300
Intermediate Similarity 0.7153 NPC46586
Intermediate Similarity 0.7153 NPC473107
Intermediate Similarity 0.7153 NPC204535
Intermediate Similarity 0.7153 NPC57199
Intermediate Similarity 0.7153 NPC473464

Drug Structure

External Identifiers

TTD   DNCL003107
DrugBank   DB09071
ChEMBL   CHEMBL2103822
IUPHAR/BPS   7393
PharmaGKB  
KEGG Drug   D09388
PubChem CID   10220503
ChEBI   79042
CAS Number  609799-22-6

Drug Properties

Molecular Weight  245.14
ALogP  -0.373
MLogP  2.78
XLogP  2.872
HDA  2
HBD  1
Rotatable Bonds  6
TPSA  41.82
RO5 Violation  0