Drug Information

Drug ID:  NPD3563
Drug Name:  Levomepromazine Hydrochloride
Molecular Formula:  C19H24N2OS.ClH
Canonical SMILES:  COc1ccc2c(c1)N(C[C@@H](CN(C)C)C)c1c(S2)cccc1.Cl
Standard InCHI:  InChI=1S/C19H24N2OS.ClH/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21;/h5-11,14H,12-13H2,1-4H3;1H/t14-;/m1./s1
Standard InCHIKey:  ODLGFPIWRAEFAN-PFEQFJNWSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD3563

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
Remote Similarity 0.6875 NPC226914
Remote Similarity 0.6864 NPC315257
Remote Similarity 0.6816 NPC222592
Remote Similarity 0.6816 NPC168486
Remote Similarity 0.6744 NPC285635
Remote Similarity 0.6742 NPC473432
Remote Similarity 0.6724 NPC299582
Remote Similarity 0.663 NPC70092
Remote Similarity 0.6554 NPC1527
Remote Similarity 0.6534 NPC24954
Remote Similarity 0.6505 NPC74382
Remote Similarity 0.6505 NPC206251
Remote Similarity 0.6503 NPC118776
Remote Similarity 0.648 NPC258773
Remote Similarity 0.6477 NPC329747
Remote Similarity 0.6471 NPC224327
Remote Similarity 0.6437 NPC26850
Remote Similarity 0.6436 NPC473569
Remote Similarity 0.6429 NPC285941
Remote Similarity 0.6383 NPC477186
Remote Similarity 0.6375 NPC473417
Remote Similarity 0.6368 NPC473004
Remote Similarity 0.6358 NPC26872
Remote Similarity 0.6345 NPC328877
Remote Similarity 0.6328 NPC177404
Remote Similarity 0.6308 NPC67904
Remote Similarity 0.6296 NPC110741
Remote Similarity 0.6291 NPC264782
Remote Similarity 0.6289 NPC100863
Remote Similarity 0.6287 NPC314682
Remote Similarity 0.6264 NPC73280
Remote Similarity 0.625 NPC474915
Remote Similarity 0.625 NPC213206
Remote Similarity 0.625 NPC188163
Remote Similarity 0.625 NPC328750
Remote Similarity 0.625 NPC470925
Remote Similarity 0.6243 NPC21425
Remote Similarity 0.6237 NPC190461
Remote Similarity 0.623 NPC22476
Remote Similarity 0.623 NPC1820
Remote Similarity 0.6224 NPC127178
Remote Similarity 0.6223 NPC473007
Remote Similarity 0.6218 NPC230313
Remote Similarity 0.6211 NPC172403
Remote Similarity 0.6205 NPC234933
Remote Similarity 0.6198 NPC206109
Remote Similarity 0.6198 NPC114039
Remote Similarity 0.619 NPC276674
Remote Similarity 0.619 NPC33902
Remote Similarity 0.6185 NPC7467
Remote Similarity 0.6183 NPC287588
Remote Similarity 0.618 NPC93653
Remote Similarity 0.6178 NPC474059
Remote Similarity 0.617 NPC179704
Remote Similarity 0.6169 NPC475910
Remote Similarity 0.6167 NPC70172
Remote Similarity 0.6154 NPC476462
Remote Similarity 0.6154 NPC472191
Remote Similarity 0.6138 NPC249405
Remote Similarity 0.6127 NPC51957
Remote Similarity 0.6127 NPC210437
Remote Similarity 0.6127 NPC476144
Remote Similarity 0.6127 NPC106295
Remote Similarity 0.6127 NPC16107
Remote Similarity 0.612 NPC471604
Remote Similarity 0.612 NPC471648
Remote Similarity 0.6111 NPC204867
Remote Similarity 0.6105 NPC185838
Remote Similarity 0.61 NPC285558
Remote Similarity 0.6094 NPC473008
Remote Similarity 0.6094 NPC134079
Remote Similarity 0.6093 NPC9336
Remote Similarity 0.6087 NPC250476
Remote Similarity 0.6085 NPC84478
Remote Similarity 0.6082 NPC128019
Remote Similarity 0.6082 NPC260601
Remote Similarity 0.6082 NPC476567
Remote Similarity 0.6082 NPC136860
Remote Similarity 0.608 NPC52801
Remote Similarity 0.6071 NPC161804
Remote Similarity 0.6067 NPC93593
Remote Similarity 0.6066 NPC476518
Remote Similarity 0.6062 NPC28510
Remote Similarity 0.6061 NPC138830
Remote Similarity 0.6061 NPC329793
Remote Similarity 0.6056 NPC315498
Remote Similarity 0.6056 NPC230942
Remote Similarity 0.6051 NPC243626
Remote Similarity 0.6042 NPC320088
Remote Similarity 0.6034 NPC179825
Remote Similarity 0.6034 NPC321505
Remote Similarity 0.6034 NPC301163
Remote Similarity 0.6034 NPC191376
Remote Similarity 0.6034 NPC476151
Remote Similarity 0.6033 NPC121658
Remote Similarity 0.6033 NPC14651
Remote Similarity 0.602 NPC194967
Remote Similarity 0.6012 NPC130926
Remote Similarity 0.601 NPC312531
Remote Similarity 0.6009 NPC153467
Remote Similarity 0.6 NPC476571
Remote Similarity 0.6 NPC111624
Remote Similarity 0.6 NPC24233
Remote Similarity 0.6 NPC246587
Remote Similarity 0.6 NPC428
Remote Similarity 0.6 NPC147390
Remote Similarity 0.6 NPC135538
Remote Similarity 0.6 NPC62069
Remote Similarity 0.6 NPC15987
Remote Similarity 0.6 NPC475959
Remote Similarity 0.5989 NPC283152
Remote Similarity 0.5989 NPC127082
Remote Similarity 0.5989 NPC36168
Remote Similarity 0.5987 NPC95977
Remote Similarity 0.5981 NPC473041
Remote Similarity 0.598 NPC469589
Remote Similarity 0.598 NPC315957
Remote Similarity 0.5978 NPC469428
Remote Similarity 0.5976 NPC476475
Remote Similarity 0.5971 NPC264176
Remote Similarity 0.597 NPC41216
Remote Similarity 0.5968 NPC312872
Remote Similarity 0.5966 NPC103379
Remote Similarity 0.5966 NPC477565
Remote Similarity 0.5961 NPC198160
Remote Similarity 0.596 NPC71124
Remote Similarity 0.5949 NPC133140
Remote Similarity 0.5949 NPC195268
Remote Similarity 0.5946 NPC85482
Remote Similarity 0.5944 NPC146288
Remote Similarity 0.5942 NPC473006
Remote Similarity 0.5941 NPC36229
Remote Similarity 0.5941 NPC16452
Remote Similarity 0.5941 NPC204156
Remote Similarity 0.5941 NPC476581
Remote Similarity 0.5939 NPC231382
Remote Similarity 0.5939 NPC160193
Remote Similarity 0.593 NPC308197
Remote Similarity 0.593 NPC241263
Remote Similarity 0.593 NPC168750
Remote Similarity 0.5928 NPC474904
Remote Similarity 0.5926 NPC5167
Remote Similarity 0.592 NPC295898
Remote Similarity 0.592 NPC473005
Remote Similarity 0.5918 NPC302001
Remote Similarity 0.5917 NPC416184
Remote Similarity 0.5914 NPC477185
Remote Similarity 0.5912 NPC321133
Remote Similarity 0.5911 NPC472111
Remote Similarity 0.5906 NPC256838
Remote Similarity 0.5904 NPC477187
Remote Similarity 0.59 NPC11017
Remote Similarity 0.59 NPC121772
Remote Similarity 0.5899 NPC81733
Remote Similarity 0.5899 NPC326316
Remote Similarity 0.5895 NPC470474
Remote Similarity 0.5895 NPC288305
Remote Similarity 0.5894 NPC159815
Remote Similarity 0.5889 NPC54379
Remote Similarity 0.5889 NPC110416
Remote Similarity 0.5889 NPC187022
Remote Similarity 0.5889 NPC41178
Remote Similarity 0.5889 NPC2413
Remote Similarity 0.5889 NPC207757
Remote Similarity 0.5889 NPC39701
Remote Similarity 0.5889 NPC249797
Remote Similarity 0.5889 NPC127674
Remote Similarity 0.5889 NPC80129
Remote Similarity 0.5889 NPC216459
Remote Similarity 0.5889 NPC189266
Remote Similarity 0.5889 NPC138487
Remote Similarity 0.5889 NPC172765
Remote Similarity 0.5889 NPC193949
Remote Similarity 0.5889 NPC123323
Remote Similarity 0.5889 NPC204828
Remote Similarity 0.5889 NPC184026
Remote Similarity 0.5889 NPC5238
Remote Similarity 0.5889 NPC278799
Remote Similarity 0.5889 NPC469817
Remote Similarity 0.5889 NPC295691
Remote Similarity 0.5889 NPC276588
Remote Similarity 0.5885 NPC148183
Remote Similarity 0.5885 NPC152768
Remote Similarity 0.5878 NPC291610
Remote Similarity 0.5876 NPC92541
Remote Similarity 0.5876 NPC207824
Remote Similarity 0.5876 NPC219162
Remote Similarity 0.5876 NPC60538
Remote Similarity 0.5874 NPC471304
Remote Similarity 0.5874 NPC167860
Remote Similarity 0.5874 NPC123976
Remote Similarity 0.5871 NPC232727
Remote Similarity 0.5871 NPC470586
Remote Similarity 0.5871 NPC31930
Remote Similarity 0.5867 NPC204970
Remote Similarity 0.5867 NPC141915
Remote Similarity 0.5867 NPC280964
Remote Similarity 0.5867 NPC114335
Remote Similarity 0.5865 NPC471080
Remote Similarity 0.5865 NPC469592

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  328.16
ALogP  0.9264
MLogP  3.11
XLogP  4.214
HDA  2
HBD  0
Rotatable Bonds  9
TPSA  41.01
RO5 Violation  0