Drug Information

Drug ID:  NPD2485
Drug Name:  Nefopam
Molecular Formula:  C17H19NO
Canonical SMILES:  CN1CCOC(c2c(C1)cccc2)c1ccccc1
Standard InCHI:  InChI=1S/C17H19NO/c1-18-11-12-19-17(14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-18/h2-10,17H,11-13H2,1H3
Standard InCHIKey:  RGPDEAGGEXEMMM-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2485

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 0.8532 NPC316797
Intermediate Similarity 0.7797 NPC24777
Intermediate Similarity 0.7619 NPC316896
Intermediate Similarity 0.7414 NPC214200
Intermediate Similarity 0.7414 NPC228400
Intermediate Similarity 0.7402 NPC326232
Intermediate Similarity 0.7377 NPC269340
Intermediate Similarity 0.7355 NPC65855
Intermediate Similarity 0.7355 NPC292758
Intermediate Similarity 0.7143 NPC314682
Intermediate Similarity 0.7092 NPC213206
Intermediate Similarity 0.7092 NPC474915
Intermediate Similarity 0.7092 NPC328750
Intermediate Similarity 0.7092 NPC188163
Intermediate Similarity 0.709 NPC172403
Intermediate Similarity 0.7077 NPC314192
Intermediate Similarity 0.7059 NPC327226
Intermediate Similarity 0.7045 NPC255253
Intermediate Similarity 0.7045 NPC217277
Intermediate Similarity 0.7018 NPC470926
Intermediate Similarity 0.7 NPC321133
Remote Similarity 0.6985 NPC160193
Remote Similarity 0.6972 NPC470925
Remote Similarity 0.697 NPC471315
Remote Similarity 0.697 NPC471314
Remote Similarity 0.6942 NPC147000
Remote Similarity 0.6942 NPC304761
Remote Similarity 0.6942 NPC150254
Remote Similarity 0.6942 NPC226778
Remote Similarity 0.6917 NPC307020
Remote Similarity 0.6897 NPC185838
Remote Similarity 0.6897 NPC130926
Remote Similarity 0.6881 NPC165212
Remote Similarity 0.6875 NPC476567
Remote Similarity 0.6875 NPC136860
Remote Similarity 0.6875 NPC128019
Remote Similarity 0.6803 NPC16107
Remote Similarity 0.6803 NPC51957
Remote Similarity 0.6803 NPC210437
Remote Similarity 0.6803 NPC476151
Remote Similarity 0.6803 NPC106295
Remote Similarity 0.6803 NPC476144
Remote Similarity 0.6803 NPC191376
Remote Similarity 0.6803 NPC179825
Remote Similarity 0.6803 NPC321505
Remote Similarity 0.6791 NPC211218
Remote Similarity 0.6791 NPC328267
Remote Similarity 0.6757 NPC7467
Remote Similarity 0.6757 NPC135538
Remote Similarity 0.6757 NPC428
Remote Similarity 0.6757 NPC104070
Remote Similarity 0.6757 NPC24233
Remote Similarity 0.6757 NPC147390
Remote Similarity 0.6757 NPC475959
Remote Similarity 0.6757 NPC246587
Remote Similarity 0.6757 NPC476571
Remote Similarity 0.6748 NPC211551
Remote Similarity 0.6714 NPC266425
Remote Similarity 0.6714 NPC325568
Remote Similarity 0.6711 NPC477565
Remote Similarity 0.6711 NPC103379
Remote Similarity 0.6696 NPC95429
Remote Similarity 0.6695 NPC215351
Remote Similarity 0.6695 NPC20142
Remote Similarity 0.6689 NPC90844
Remote Similarity 0.6689 NPC95075
Remote Similarity 0.6689 NPC253883
Remote Similarity 0.6689 NPC144863
Remote Similarity 0.6667 NPC212850
Remote Similarity 0.6667 NPC290515
Remote Similarity 0.6667 NPC14950
Remote Similarity 0.6667 NPC189724
Remote Similarity 0.6667 NPC158854
Remote Similarity 0.6667 NPC164514
Remote Similarity 0.6667 NPC108606
Remote Similarity 0.6667 NPC233650
Remote Similarity 0.6667 NPC274026
Remote Similarity 0.6667 NPC226096
Remote Similarity 0.6667 NPC83289
Remote Similarity 0.6667 NPC303611
Remote Similarity 0.6643 NPC231163
Remote Similarity 0.6643 NPC318591
Remote Similarity 0.6643 NPC118419
Remote Similarity 0.6642 NPC218323
Remote Similarity 0.6642 NPC26285
Remote Similarity 0.6624 NPC169743
Remote Similarity 0.6624 NPC134858
Remote Similarity 0.6623 NPC129603
Remote Similarity 0.6623 NPC81733
Remote Similarity 0.6623 NPC326316
Remote Similarity 0.6621 NPC475128
Remote Similarity 0.6618 NPC62101
Remote Similarity 0.6618 NPC95733
Remote Similarity 0.6617 NPC263835
Remote Similarity 0.6617 NPC17388
Remote Similarity 0.6617 NPC53596
Remote Similarity 0.6617 NPC160120
Remote Similarity 0.6617 NPC289330
Remote Similarity 0.6617 NPC471308
Remote Similarity 0.6615 NPC101139
Remote Similarity 0.6609 NPC304760
Remote Similarity 0.66 NPC219162
Remote Similarity 0.66 NPC207824
Remote Similarity 0.66 NPC60538
Remote Similarity 0.66 NPC92541
Remote Similarity 0.6596 NPC160692
Remote Similarity 0.6581 NPC92191
Remote Similarity 0.6581 NPC59028
Remote Similarity 0.6579 NPC133011
Remote Similarity 0.6579 NPC82285
Remote Similarity 0.6579 NPC148898
Remote Similarity 0.6573 NPC131204
Remote Similarity 0.6573 NPC7018
Remote Similarity 0.6573 NPC301050
Remote Similarity 0.6569 NPC29477
Remote Similarity 0.6558 NPC25084
Remote Similarity 0.6558 NPC247639
Remote Similarity 0.6557 NPC245927
Remote Similarity 0.6556 NPC220858
Remote Similarity 0.6556 NPC192768
Remote Similarity 0.6556 NPC88249
Remote Similarity 0.6556 NPC97221
Remote Similarity 0.6556 NPC151895
Remote Similarity 0.6555 NPC58674
Remote Similarity 0.6555 NPC329430
Remote Similarity 0.6549 NPC293377
Remote Similarity 0.6549 NPC260045
Remote Similarity 0.6549 NPC76785
Remote Similarity 0.6549 NPC9687
Remote Similarity 0.6549 NPC273907
Remote Similarity 0.6549 NPC474787
Remote Similarity 0.6549 NPC118099
Remote Similarity 0.6549 NPC475598
Remote Similarity 0.6549 NPC90194
Remote Similarity 0.6549 NPC474811
Remote Similarity 0.6549 NPC475318
Remote Similarity 0.6549 NPC474855
Remote Similarity 0.6549 NPC49577
Remote Similarity 0.6549 NPC151706
Remote Similarity 0.6549 NPC476102
Remote Similarity 0.6549 NPC79465
Remote Similarity 0.6544 NPC285394
Remote Similarity 0.6541 NPC43275
Remote Similarity 0.6541 NPC210140
Remote Similarity 0.6541 NPC150879
Remote Similarity 0.6535 NPC273837
Remote Similarity 0.6529 NPC475954
Remote Similarity 0.6528 NPC253429
Remote Similarity 0.6516 NPC148014
Remote Similarity 0.6516 NPC78359
Remote Similarity 0.6516 NPC65490
Remote Similarity 0.6516 NPC315707
Remote Similarity 0.6516 NPC40389
Remote Similarity 0.6513 NPC76213
Remote Similarity 0.6513 NPC277669
Remote Similarity 0.6513 NPC476568
Remote Similarity 0.6508 NPC186469
Remote Similarity 0.6504 NPC239854
Remote Similarity 0.6503 NPC11147
Remote Similarity 0.6496 NPC325013
Remote Similarity 0.6494 NPC207757
Remote Similarity 0.6494 NPC110416
Remote Similarity 0.6494 NPC138487
Remote Similarity 0.6494 NPC172765
Remote Similarity 0.6494 NPC193949
Remote Similarity 0.6494 NPC184026
Remote Similarity 0.6494 NPC39701
Remote Similarity 0.6494 NPC127674
Remote Similarity 0.6494 NPC5238
Remote Similarity 0.6494 NPC78733
Remote Similarity 0.6494 NPC204828
Remote Similarity 0.6494 NPC469817
Remote Similarity 0.6494 NPC216459
Remote Similarity 0.6494 NPC189266
Remote Similarity 0.6494 NPC276588
Remote Similarity 0.6494 NPC295691
Remote Similarity 0.6494 NPC249797
Remote Similarity 0.6494 NPC54379
Remote Similarity 0.6494 NPC41178
Remote Similarity 0.6494 NPC2413
Remote Similarity 0.6494 NPC278799
Remote Similarity 0.6486 NPC247298
Remote Similarity 0.6486 NPC260194
Remote Similarity 0.648 NPC476198
Remote Similarity 0.6475 NPC17374
Remote Similarity 0.6475 NPC66177
Remote Similarity 0.6475 NPC268763
Remote Similarity 0.6475 NPC8305
Remote Similarity 0.6474 NPC477080
Remote Similarity 0.6471 NPC210148
Remote Similarity 0.6471 NPC233029
Remote Similarity 0.6471 NPC26601
Remote Similarity 0.6463 NPC473922
Remote Similarity 0.6462 NPC474544
Remote Similarity 0.6462 NPC1986
Remote Similarity 0.6462 NPC26524
Remote Similarity 0.6458 NPC167944
Remote Similarity 0.6458 NPC231884
Remote Similarity 0.6458 NPC42793
Remote Similarity 0.6452 NPC147091

Drug Structure

External Identifiers

TTD   DIB006294
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  253.15
ALogP  -0.0542
MLogP  3.11
XLogP  4.994
HDA  2
HBD  0
Rotatable Bonds  2
TPSA  12.47
RO5 Violation  0