Drug Information

Drug ID:  NPD3956
Drug Name:  levomequitazine
Molecular Formula:  C20H22N2S
Canonical SMILES:  c1ccc2c(c1)N(C[C@@H]1CN3CCC1CC3)c1c(S2)cccc1
Standard InCHI:  InChI=1S/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2/t16-/m0/s1
Standard InCHIKey:  HOKDBMAJZXIPGC-INIZCTEOSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD3956

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 0.8492 NPC473417
Intermediate Similarity 0.7931 NPC328877
Intermediate Similarity 0.7607 NPC291610
Intermediate Similarity 0.7045 NPC475915
Intermediate Similarity 0.7037 NPC252794
Remote Similarity 0.6591 NPC218710
Remote Similarity 0.6556 NPC321617
Remote Similarity 0.651 NPC320863
Remote Similarity 0.6493 NPC313449
Remote Similarity 0.6466 NPC229477
Remote Similarity 0.6434 NPC302790
Remote Similarity 0.637 NPC192209
Remote Similarity 0.6357 NPC434
Remote Similarity 0.6357 NPC79618
Remote Similarity 0.6316 NPC187036
Remote Similarity 0.6316 NPC296163
Remote Similarity 0.6281 NPC470926
Remote Similarity 0.6222 NPC288232
Remote Similarity 0.6209 NPC469735
Remote Similarity 0.6204 NPC264580
Remote Similarity 0.6111 NPC328590
Remote Similarity 0.6051 NPC206592
Remote Similarity 0.604 NPC471123
Remote Similarity 0.6027 NPC476131
Remote Similarity 0.6025 NPC474880
Remote Similarity 0.6025 NPC221786
Remote Similarity 0.6017 NPC134825
Remote Similarity 0.6 NPC329430
Remote Similarity 0.5988 NPC229173
Remote Similarity 0.5987 NPC22082
Remote Similarity 0.5987 NPC186284
Remote Similarity 0.5986 NPC53044
Remote Similarity 0.5986 NPC69914
Remote Similarity 0.5974 NPC20144
Remote Similarity 0.5969 NPC239854
Remote Similarity 0.5962 NPC469740
Remote Similarity 0.596 NPC314102
Remote Similarity 0.596 NPC251722
Remote Similarity 0.5959 NPC9856
Remote Similarity 0.5957 NPC314192
Remote Similarity 0.5942 NPC313673
Remote Similarity 0.594 NPC164802
Remote Similarity 0.5935 NPC191444
Remote Similarity 0.5931 NPC476140
Remote Similarity 0.5931 NPC145754
Remote Similarity 0.5929 NPC226143
Remote Similarity 0.5924 NPC21605
Remote Similarity 0.5921 NPC130251
Remote Similarity 0.5906 NPC313352
Remote Similarity 0.5903 NPC476322
Remote Similarity 0.5882 NPC104070
Remote Similarity 0.5882 NPC88097
Remote Similarity 0.5879 NPC475420
Remote Similarity 0.5875 NPC161108
Remote Similarity 0.5874 NPC329825
Remote Similarity 0.5862 NPC273714
Remote Similarity 0.5854 NPC176858
Remote Similarity 0.5845 NPC257490
Remote Similarity 0.5844 NPC59084
Remote Similarity 0.5828 NPC475990
Remote Similarity 0.5823 NPC109787
Remote Similarity 0.5822 NPC476950
Remote Similarity 0.5822 NPC478079
Remote Similarity 0.5816 NPC54102
Remote Similarity 0.5816 NPC162689
Remote Similarity 0.5806 NPC63157
Remote Similarity 0.5806 NPC473868
Remote Similarity 0.5776 NPC478076
Remote Similarity 0.5774 NPC474897
Remote Similarity 0.5758 NPC469741
Remote Similarity 0.5752 NPC469560
Remote Similarity 0.575 NPC148592
Remote Similarity 0.575 NPC40070
Remote Similarity 0.5745 NPC81561
Remote Similarity 0.574 NPC201634
Remote Similarity 0.5714 NPC313362
Remote Similarity 0.5714 NPC474695
Remote Similarity 0.5714 NPC470233
Remote Similarity 0.5714 NPC469949
Remote Similarity 0.5714 NPC108800
Remote Similarity 0.5706 NPC473880
Remote Similarity 0.5704 NPC291962
Remote Similarity 0.5704 NPC91958
Remote Similarity 0.5704 NPC177684
Remote Similarity 0.5702 NPC169016
Remote Similarity 0.5697 NPC81229
Remote Similarity 0.5697 NPC255229
Remote Similarity 0.5696 NPC264589
Remote Similarity 0.5694 NPC268534
Remote Similarity 0.5691 NPC175916
Remote Similarity 0.569 NPC271642
Remote Similarity 0.5685 NPC122718
Remote Similarity 0.5682 NPC474430
Remote Similarity 0.5677 NPC301760
Remote Similarity 0.5677 NPC470301
Remote Similarity 0.5677 NPC32002
Remote Similarity 0.5677 NPC104483
Remote Similarity 0.5677 NPC316811
Remote Similarity 0.5677 NPC315348
Remote Similarity 0.5674 NPC148140
Remote Similarity 0.5671 NPC469897
Remote Similarity 0.5667 NPC282398
Remote Similarity 0.5664 NPC161956
Remote Similarity 0.5664 NPC258531
Remote Similarity 0.5664 NPC112373
Remote Similarity 0.5663 NPC194881
Remote Similarity 0.5661 NPC66699
Remote Similarity 0.5652 NPC66775
Remote Similarity 0.5652 NPC33421
Remote Similarity 0.5649 NPC326792
Remote Similarity 0.5646 NPC166424
Remote Similarity 0.5646 NPC245244
Remote Similarity 0.5646 NPC146373
Remote Similarity 0.5645 NPC297532
Remote Similarity 0.5644 NPC476219
Remote Similarity 0.5643 NPC143156
Remote Similarity 0.5641 NPC2949
Remote Similarity 0.564 NPC280852
Remote Similarity 0.5638 NPC287895
Remote Similarity 0.5634 NPC240136
Remote Similarity 0.5634 NPC471402
Remote Similarity 0.5634 NPC297486
Remote Similarity 0.563 NPC20322
Remote Similarity 0.5621 NPC63047
Remote Similarity 0.5621 NPC475248
Remote Similarity 0.5621 NPC198988
Remote Similarity 0.5616 NPC46358
Remote Similarity 0.561 NPC258046
Remote Similarity 0.5608 NPC135488
Remote Similarity 0.5605 NPC88121
Remote Similarity 0.5605 NPC469537
Remote Similarity 0.5603 NPC125416
Remote Similarity 0.5603 NPC98976
Remote Similarity 0.56 NPC315403

Drug Structure

External Identifiers

TTD   DIB015059
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  322.15
ALogP  -0.5248
MLogP  3.33
XLogP  4.763
HDA  2
HBD  0
Rotatable Bonds  2
TPSA  31.78
RO5 Violation  0