Drug Information

Drug ID:  NPD1337
Drug Name:  
Molecular Formula:  C14H17NO3
Canonical SMILES:  O=C(c1ccc2c(c1)OCCO2)N1CCCCC1
Standard InCHI:  InChI=1S/C14H17NO3/c16-14(15-6-2-1-3-7-15)11-4-5-12-13(10-11)18-9-8-17-12/h4-5,10H,1-3,6-9H2
Standard InCHIKey:  LJUNPHMOGNFFOS-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1337

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 0.9 NPC119669
High Similarity 0.8758 NPC470708
High Similarity 0.8599 NPC135006
Intermediate Similarity 0.8258 NPC470088
Intermediate Similarity 0.8144 NPC222524
Intermediate Similarity 0.8117 NPC469978
Intermediate Similarity 0.8108 NPC266425
Intermediate Similarity 0.8086 NPC153631
Intermediate Similarity 0.8049 NPC206941
Intermediate Similarity 0.7933 NPC167096
Intermediate Similarity 0.7919 NPC471650
Intermediate Similarity 0.7895 NPC225745
Intermediate Similarity 0.7881 NPC136330
Intermediate Similarity 0.7881 NPC196609
Intermediate Similarity 0.7881 NPC255817
Intermediate Similarity 0.7881 NPC230698
Intermediate Similarity 0.7881 NPC251454
Intermediate Similarity 0.7881 NPC205178
Intermediate Similarity 0.7881 NPC73883
Intermediate Similarity 0.7881 NPC180647
Intermediate Similarity 0.7881 NPC277042
Intermediate Similarity 0.7853 NPC477258
Intermediate Similarity 0.7829 NPC99078
Intermediate Similarity 0.7816 NPC477259
Intermediate Similarity 0.7816 NPC169387
Intermediate Similarity 0.7806 NPC138438
Intermediate Similarity 0.7806 NPC908
Intermediate Similarity 0.7803 NPC116007
Intermediate Similarity 0.7785 NPC160193
Intermediate Similarity 0.7778 NPC470707
Intermediate Similarity 0.7778 NPC252107
Intermediate Similarity 0.7778 NPC220923
Intermediate Similarity 0.7771 NPC208890
Intermediate Similarity 0.777 NPC172403
Intermediate Similarity 0.7755 NPC473626
Intermediate Similarity 0.7751 NPC227683
Intermediate Similarity 0.7751 NPC67978
Intermediate Similarity 0.7751 NPC303581
Intermediate Similarity 0.7738 NPC86469
Intermediate Similarity 0.7727 NPC231572
Intermediate Similarity 0.7702 NPC476579
Intermediate Similarity 0.7701 NPC83511
Intermediate Similarity 0.7679 NPC284842
Intermediate Similarity 0.7667 NPC71124
Intermediate Similarity 0.7661 NPC308267
Intermediate Similarity 0.7661 NPC20395
Intermediate Similarity 0.765 NPC207971
Intermediate Similarity 0.764 NPC254957
Intermediate Similarity 0.763 NPC27887
Intermediate Similarity 0.7624 NPC5374
Intermediate Similarity 0.7609 NPC268077
Intermediate Similarity 0.7605 NPC476569
Intermediate Similarity 0.7597 NPC469808
Intermediate Similarity 0.759 NPC26353
Intermediate Similarity 0.7578 NPC469540
Intermediate Similarity 0.7578 NPC469539
Intermediate Similarity 0.7564 NPC314682
Intermediate Similarity 0.756 NPC231198
Intermediate Similarity 0.756 NPC35345
Intermediate Similarity 0.7548 NPC28641
Intermediate Similarity 0.7548 NPC194359
Intermediate Similarity 0.7534 NPC295317
Intermediate Similarity 0.7516 NPC213206
Intermediate Similarity 0.7516 NPC474915
Intermediate Similarity 0.7516 NPC328750
Intermediate Similarity 0.7516 NPC188163
Intermediate Similarity 0.7515 NPC57512
Intermediate Similarity 0.7514 NPC35680
Intermediate Similarity 0.7514 NPC24228
Intermediate Similarity 0.7487 NPC38964
Intermediate Similarity 0.7484 NPC416184
Intermediate Similarity 0.7471 NPC121400
Intermediate Similarity 0.7468 NPC45783
Intermediate Similarity 0.7468 NPC159150
Intermediate Similarity 0.7468 NPC193673
Intermediate Similarity 0.7468 NPC94280
Intermediate Similarity 0.7468 NPC103947
Intermediate Similarity 0.7468 NPC328419
Intermediate Similarity 0.7451 NPC217574
Intermediate Similarity 0.7439 NPC476580
Intermediate Similarity 0.7438 NPC130926
Intermediate Similarity 0.7421 NPC476567
Intermediate Similarity 0.7421 NPC136860
Intermediate Similarity 0.7421 NPC128019
Intermediate Similarity 0.7419 NPC96406
Intermediate Similarity 0.7415 NPC225245
Intermediate Similarity 0.7409 NPC82056
Intermediate Similarity 0.7403 NPC160692
Intermediate Similarity 0.7399 NPC329992
Intermediate Similarity 0.7394 NPC471649
Intermediate Similarity 0.7386 NPC298268
Intermediate Similarity 0.7383 NPC474691
Intermediate Similarity 0.7372 NPC7018
Intermediate Similarity 0.7372 NPC145446
Intermediate Similarity 0.7372 NPC131204
Intermediate Similarity 0.7372 NPC301050
Intermediate Similarity 0.7372 NPC137172
Intermediate Similarity 0.7349 NPC169742
Intermediate Similarity 0.7346 NPC106295
Intermediate Similarity 0.7346 NPC51957
Intermediate Similarity 0.7346 NPC16107
Intermediate Similarity 0.7346 NPC476144
Intermediate Similarity 0.7346 NPC210437
Intermediate Similarity 0.7345 NPC102760
Intermediate Similarity 0.7338 NPC318862
Intermediate Similarity 0.7337 NPC267414
Intermediate Similarity 0.7333 NPC58661
Intermediate Similarity 0.7329 NPC185838
Intermediate Similarity 0.7329 NPC110337
Intermediate Similarity 0.7325 NPC214036
Intermediate Similarity 0.7325 NPC248505
Intermediate Similarity 0.7325 NPC253429
Intermediate Similarity 0.7325 NPC95366
Intermediate Similarity 0.7325 NPC113236
Intermediate Similarity 0.7321 NPC106786
Intermediate Similarity 0.7321 NPC118804
Intermediate Similarity 0.7317 NPC223125
Intermediate Similarity 0.7308 NPC144662
Intermediate Similarity 0.7305 NPC247639
Intermediate Similarity 0.7305 NPC25084
Intermediate Similarity 0.7301 NPC153644
Intermediate Similarity 0.7301 NPC7467
Intermediate Similarity 0.7294 NPC59567
Intermediate Similarity 0.7278 NPC160747
Intermediate Similarity 0.7263 NPC214629
Intermediate Similarity 0.7261 NPC307682
Intermediate Similarity 0.7239 NPC191376
Intermediate Similarity 0.7239 NPC476151
Intermediate Similarity 0.7239 NPC179825
Intermediate Similarity 0.7239 NPC321505
Intermediate Similarity 0.7229 NPC471073
Intermediate Similarity 0.7229 NPC270811
Intermediate Similarity 0.7229 NPC223124
Intermediate Similarity 0.7222 NPC162694
Intermediate Similarity 0.7219 NPC30216
Intermediate Similarity 0.7216 NPC5167
Intermediate Similarity 0.7212 NPC478189
Intermediate Similarity 0.7212 NPC274026
Intermediate Similarity 0.7202 NPC476443
Intermediate Similarity 0.7202 NPC133817
Intermediate Similarity 0.7198 NPC226708
Intermediate Similarity 0.7195 NPC24233
Intermediate Similarity 0.7195 NPC147390
Intermediate Similarity 0.7195 NPC135538
Intermediate Similarity 0.7195 NPC475959
Intermediate Similarity 0.7195 NPC428
Intermediate Similarity 0.7195 NPC246587
Intermediate Similarity 0.7195 NPC476571
Intermediate Similarity 0.7191 NPC473562
Intermediate Similarity 0.719 NPC203719
Intermediate Similarity 0.719 NPC117237
Intermediate Similarity 0.7189 NPC215098
Intermediate Similarity 0.7189 NPC70290
Intermediate Similarity 0.7189 NPC73020
Intermediate Similarity 0.7189 NPC83019
Intermediate Similarity 0.7189 NPC14622
Intermediate Similarity 0.7189 NPC46744
Intermediate Similarity 0.7189 NPC124302
Intermediate Similarity 0.7184 NPC164608
Intermediate Similarity 0.7182 NPC141440
Intermediate Similarity 0.7179 NPC132308
Intermediate Similarity 0.7179 NPC313327
Intermediate Similarity 0.7171 NPC120066
Intermediate Similarity 0.7158 NPC308943
Intermediate Similarity 0.7152 NPC477565
Intermediate Similarity 0.7152 NPC103379
Intermediate Similarity 0.7152 NPC92541
Intermediate Similarity 0.7151 NPC306669
Intermediate Similarity 0.7151 NPC471651
Intermediate Similarity 0.7151 NPC207239
Intermediate Similarity 0.7135 NPC99723
Intermediate Similarity 0.7135 NPC204580
Intermediate Similarity 0.7126 NPC82285
Intermediate Similarity 0.7126 NPC241055
Intermediate Similarity 0.7126 NPC133011
Intermediate Similarity 0.7126 NPC148898
Intermediate Similarity 0.7124 NPC154275
Intermediate Similarity 0.7124 NPC218323
Intermediate Similarity 0.7119 NPC241704
Intermediate Similarity 0.7117 NPC189908
Intermediate Similarity 0.7117 NPC471646
Intermediate Similarity 0.7117 NPC471647
Intermediate Similarity 0.7112 NPC226652
Intermediate Similarity 0.7112 NPC120671
Intermediate Similarity 0.7112 NPC72788
Intermediate Similarity 0.7112 NPC314100
Intermediate Similarity 0.711 NPC474858
Intermediate Similarity 0.7108 NPC151895
Intermediate Similarity 0.7108 NPC220858
Intermediate Similarity 0.7108 NPC192768
Intermediate Similarity 0.7108 NPC88249
Intermediate Similarity 0.7108 NPC97221
Intermediate Similarity 0.7107 NPC471316
Intermediate Similarity 0.7095 NPC115906
Intermediate Similarity 0.7093 NPC475393
Intermediate Similarity 0.7089 NPC196708
Intermediate Similarity 0.7089 NPC11147
Intermediate Similarity 0.7086 NPC298486
Intermediate Similarity 0.7081 NPC174783
Intermediate Similarity 0.7081 NPC33256

Drug Structure

External Identifiers

TTD   DIB004587
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   2890
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  247.12
ALogP  -1.7606
MLogP  2.56
XLogP  1.731
HDA  2
HBD  0
Rotatable Bonds  2
TPSA  38.77
RO5 Violation  0