Drug Information

Drug ID:  NPD3110
Drug Name:  Dextromethorphan
Molecular Formula:  C18H25NO
Canonical SMILES:  COc1ccc2c(c1)[C@@]13CCCC[C@@H]3[C@H](C2)N(CC1)C
Standard InCHI:  InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/s1
Standard InCHIKey:  MKXZASYAUGDDCJ-NJAFHUGGSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD3110

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 NPC325568
High Similarity 0.9037 NPC470925
High Similarity 0.8855 NPC89769
High Similarity 0.8855 NPC126859
High Similarity 0.8855 NPC259665
High Similarity 0.8779 NPC124802
High Similarity 0.8702 NPC8305
High Similarity 0.8702 NPC66177
High Similarity 0.8702 NPC268763
Intermediate Similarity 0.8444 NPC149379
Intermediate Similarity 0.8414 NPC326316
Intermediate Similarity 0.8414 NPC81733
Intermediate Similarity 0.8267 NPC475780
Intermediate Similarity 0.8264 NPC95075
Intermediate Similarity 0.8264 NPC144863
Intermediate Similarity 0.8264 NPC90844
Intermediate Similarity 0.8264 NPC253883
Intermediate Similarity 0.8163 NPC85747
Intermediate Similarity 0.8163 NPC8337
Intermediate Similarity 0.8156 NPC314682
Intermediate Similarity 0.8151 NPC219162
Intermediate Similarity 0.8151 NPC92541
Intermediate Similarity 0.8133 NPC476572
Intermediate Similarity 0.8121 NPC325871
Intermediate Similarity 0.8121 NPC99659
Intermediate Similarity 0.8099 NPC328750
Intermediate Similarity 0.8099 NPC188163
Intermediate Similarity 0.8099 NPC213206
Intermediate Similarity 0.8099 NPC474915
Intermediate Similarity 0.8092 NPC321133
Intermediate Similarity 0.8067 NPC180756
Intermediate Similarity 0.8067 NPC126519
Intermediate Similarity 0.8067 NPC323443
Intermediate Similarity 0.8067 NPC203784
Intermediate Similarity 0.8067 NPC170503
Intermediate Similarity 0.8062 NPC33900
Intermediate Similarity 0.8026 NPC306902
Intermediate Similarity 0.8026 NPC27410
Intermediate Similarity 0.8026 NPC232924
Intermediate Similarity 0.8026 NPC266753
Intermediate Similarity 0.8026 NPC166014
Intermediate Similarity 0.8026 NPC160298
Intermediate Similarity 0.8026 NPC477559
Intermediate Similarity 0.7987 NPC26601
Intermediate Similarity 0.7986 NPC136860
Intermediate Similarity 0.7986 NPC128019
Intermediate Similarity 0.7986 NPC476567
Intermediate Similarity 0.7959 NPC7467
Intermediate Similarity 0.7959 NPC130941
Intermediate Similarity 0.7923 NPC312105
Intermediate Similarity 0.7922 NPC1229
Intermediate Similarity 0.7914 NPC118419
Intermediate Similarity 0.7891 NPC476144
Intermediate Similarity 0.7891 NPC210437
Intermediate Similarity 0.7891 NPC51957
Intermediate Similarity 0.7891 NPC106295
Intermediate Similarity 0.7891 NPC16107
Intermediate Similarity 0.7881 NPC76079
Intermediate Similarity 0.7881 NPC123323
Intermediate Similarity 0.7877 NPC185838
Intermediate Similarity 0.7871 NPC225774
Intermediate Similarity 0.7867 NPC470924
Intermediate Similarity 0.7852 NPC217277
Intermediate Similarity 0.7821 NPC219341
Intermediate Similarity 0.7821 NPC476432
Intermediate Similarity 0.7821 NPC24264
Intermediate Similarity 0.7817 NPC167944
Intermediate Similarity 0.7817 NPC231884
Intermediate Similarity 0.7817 NPC42793
Intermediate Similarity 0.7806 NPC324144
Intermediate Similarity 0.7792 NPC226428
Intermediate Similarity 0.7771 NPC145832
Intermediate Similarity 0.7771 NPC158376
Intermediate Similarity 0.7771 NPC474931
Intermediate Similarity 0.7771 NPC306555
Intermediate Similarity 0.7771 NPC117188
Intermediate Similarity 0.7771 NPC205421
Intermediate Similarity 0.7771 NPC247389
Intermediate Similarity 0.7771 NPC12053
Intermediate Similarity 0.7771 NPC298979
Intermediate Similarity 0.7771 NPC81218
Intermediate Similarity 0.777 NPC191376
Intermediate Similarity 0.777 NPC321505
Intermediate Similarity 0.777 NPC476151
Intermediate Similarity 0.777 NPC179825
Intermediate Similarity 0.777 NPC160193
Intermediate Similarity 0.7763 NPC244112
Intermediate Similarity 0.7756 NPC3375
Intermediate Similarity 0.7756 NPC16805
Intermediate Similarity 0.7756 NPC196447
Intermediate Similarity 0.7756 NPC96603
Intermediate Similarity 0.7756 NPC212794
Intermediate Similarity 0.7756 NPC136508
Intermediate Similarity 0.7756 NPC78222
Intermediate Similarity 0.7756 NPC255607
Intermediate Similarity 0.7756 NPC13504
Intermediate Similarity 0.7756 NPC302527
Intermediate Similarity 0.7756 NPC167546
Intermediate Similarity 0.7756 NPC477563
Intermediate Similarity 0.7756 NPC306843
Intermediate Similarity 0.7756 NPC253043
Intermediate Similarity 0.775 NPC329969
Intermediate Similarity 0.7746 NPC11147
Intermediate Similarity 0.7727 NPC221864
Intermediate Similarity 0.7727 NPC25648
Intermediate Similarity 0.7722 NPC241055
Intermediate Similarity 0.7718 NPC428
Intermediate Similarity 0.7718 NPC246587
Intermediate Similarity 0.7718 NPC147390
Intermediate Similarity 0.7718 NPC24233
Intermediate Similarity 0.7718 NPC475959
Intermediate Similarity 0.7718 NPC476571
Intermediate Similarity 0.7718 NPC135538
Intermediate Similarity 0.7707 NPC86144
Intermediate Similarity 0.7707 NPC304659
Intermediate Similarity 0.7707 NPC81247
Intermediate Similarity 0.7707 NPC476573
Intermediate Similarity 0.7707 NPC35627
Intermediate Similarity 0.7707 NPC124657
Intermediate Similarity 0.7677 NPC205255
Intermediate Similarity 0.7677 NPC119649
Intermediate Similarity 0.7677 NPC235143
Intermediate Similarity 0.7677 NPC271388
Intermediate Similarity 0.7677 NPC230956
Intermediate Similarity 0.7669 NPC115906
Intermediate Similarity 0.7667 NPC103379
Intermediate Similarity 0.7667 NPC477565
Intermediate Similarity 0.7662 NPC79328
Intermediate Similarity 0.766 NPC474200
Intermediate Similarity 0.7658 NPC210918
Intermediate Similarity 0.7643 NPC168409
Intermediate Similarity 0.7639 NPC193528
Intermediate Similarity 0.7635 NPC145304
Intermediate Similarity 0.7635 NPC130926
Intermediate Similarity 0.7628 NPC79402
Intermediate Similarity 0.7628 NPC80759
Intermediate Similarity 0.7616 NPC97221
Intermediate Similarity 0.7616 NPC151895
Intermediate Similarity 0.7616 NPC192768
Intermediate Similarity 0.7616 NPC88249
Intermediate Similarity 0.7616 NPC220858
Intermediate Similarity 0.7613 NPC7393
Intermediate Similarity 0.7597 NPC146288
Intermediate Similarity 0.7597 NPC247639
Intermediate Similarity 0.7597 NPC25084
Intermediate Similarity 0.7597 NPC186063
Intermediate Similarity 0.758 NPC189470
Intermediate Similarity 0.758 NPC233650
Intermediate Similarity 0.7574 NPC475839
Intermediate Similarity 0.7566 NPC476568
Intermediate Similarity 0.7562 NPC168753
Intermediate Similarity 0.7562 NPC118274
Intermediate Similarity 0.7561 NPC298339
Intermediate Similarity 0.755 NPC207824
Intermediate Similarity 0.755 NPC60538
Intermediate Similarity 0.7547 NPC204947
Intermediate Similarity 0.7538 NPC470723
Intermediate Similarity 0.7532 NPC80129
Intermediate Similarity 0.7532 NPC127674
Intermediate Similarity 0.7532 NPC249797
Intermediate Similarity 0.7532 NPC39701
Intermediate Similarity 0.7532 NPC216459
Intermediate Similarity 0.7532 NPC78733
Intermediate Similarity 0.7532 NPC169743
Intermediate Similarity 0.7532 NPC172765
Intermediate Similarity 0.7532 NPC5238
Intermediate Similarity 0.7532 NPC184026
Intermediate Similarity 0.7532 NPC295691
Intermediate Similarity 0.7532 NPC41178
Intermediate Similarity 0.7532 NPC134858
Intermediate Similarity 0.7532 NPC2413
Intermediate Similarity 0.7532 NPC138487
Intermediate Similarity 0.7532 NPC193949
Intermediate Similarity 0.7532 NPC204828
Intermediate Similarity 0.7532 NPC189266
Intermediate Similarity 0.7532 NPC278799
Intermediate Similarity 0.7532 NPC276588
Intermediate Similarity 0.7532 NPC207757
Intermediate Similarity 0.7532 NPC54379
Intermediate Similarity 0.7532 NPC110416
Intermediate Similarity 0.7532 NPC469817
Intermediate Similarity 0.7532 NPC187022
Intermediate Similarity 0.7518 NPC152946
Intermediate Similarity 0.7517 NPC253429
Intermediate Similarity 0.7516 NPC239775
Intermediate Similarity 0.7516 NPC210148
Intermediate Similarity 0.7516 NPC149090
Intermediate Similarity 0.7516 NPC233029
Intermediate Similarity 0.7516 NPC19520
Intermediate Similarity 0.75 NPC118804
Intermediate Similarity 0.75 NPC172403
Intermediate Similarity 0.75 NPC477080
Intermediate Similarity 0.75 NPC186889
Intermediate Similarity 0.7484 NPC29647
Intermediate Similarity 0.7484 NPC147091
Intermediate Similarity 0.7483 NPC323204
Intermediate Similarity 0.7469 NPC477020
Intermediate Similarity 0.7469 NPC66341
Intermediate Similarity 0.7469 NPC285941
Intermediate Similarity 0.7469 NPC192135

Drug Structure

External Identifiers

TTD   DNC000541; DCL000773; DAP000277
DrugBank   DB00514
ChEMBL   CHEMBL52440
IUPHAR/BPS   6953
PharmaGKB   PA449273
KEGG Drug   D03742
PubChem CID   5462351; 5360696
ChEBI   92579
CAS Number  125-71-3

Drug Properties

Molecular Weight  271.19
ALogP  -0.591
MLogP  3.22
XLogP  4.207
HDA  1
HBD  0
Rotatable Bonds  3
TPSA  12.47
RO5 Violation  0