Drug Information

Drug ID:  NPD2924
Drug Name:  Methdilazine Hydrochloride
Molecular Formula:  C18H20N2S.ClH
Canonical SMILES:  CN1CCC(C1)CN1c2ccccc2Sc2c1cccc2.Cl
Standard InCHI:  InChI=1S/C18H20N2S.ClH/c1-19-11-10-14(12-19)13-20-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)20;/h2-9,14H,10-13H2,1H3;1H
Standard InCHIKey:  IEISBKIVLDXSMZ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2924

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 0.8288 NPC328877
Intermediate Similarity 0.824 NPC473417
Intermediate Similarity 0.7788 NPC291610
Remote Similarity 0.6923 NPC475915
Remote Similarity 0.6853 NPC320863
Remote Similarity 0.6757 NPC229477
Remote Similarity 0.6615 NPC192209
Remote Similarity 0.6589 NPC218710
Remote Similarity 0.6565 NPC264580
Remote Similarity 0.6562 NPC187036
Remote Similarity 0.6562 NPC296163
Remote Similarity 0.6554 NPC321617
Remote Similarity 0.6544 NPC273714
Remote Similarity 0.6489 NPC313449
Remote Similarity 0.6462 NPC288232
Remote Similarity 0.6429 NPC302790
Remote Similarity 0.6429 NPC134825
Remote Similarity 0.6304 NPC252794
Remote Similarity 0.6299 NPC164802
Remote Similarity 0.6275 NPC161108
Remote Similarity 0.6271 NPC470926
Remote Similarity 0.6259 NPC145754
Remote Similarity 0.6259 NPC476950
Remote Similarity 0.622 NPC79618
Remote Similarity 0.622 NPC434
Remote Similarity 0.617 NPC287895
Remote Similarity 0.6165 NPC313673
Remote Similarity 0.6149 NPC59084
Remote Similarity 0.6143 NPC478079
Remote Similarity 0.6138 NPC471123
Remote Similarity 0.6129 NPC326792
Remote Similarity 0.6122 NPC130251
Remote Similarity 0.6107 NPC473868
Remote Similarity 0.6107 NPC63157
Remote Similarity 0.6094 NPC20322
Remote Similarity 0.6093 NPC469735
Remote Similarity 0.6081 NPC186284
Remote Similarity 0.6081 NPC22082
Remote Similarity 0.6071 NPC69277
Remote Similarity 0.6053 NPC469740
Remote Similarity 0.6048 NPC75496
Remote Similarity 0.6039 NPC148592
Remote Similarity 0.6032 NPC474430
Remote Similarity 0.6029 NPC226143
Remote Similarity 0.6028 NPC476140
Remote Similarity 0.6028 NPC151779
Remote Similarity 0.6017 NPC297532
Remote Similarity 0.6014 NPC265605
Remote Similarity 0.6014 NPC48564
Remote Similarity 0.6014 NPC182570
Remote Similarity 0.6013 NPC21605
Remote Similarity 0.5987 NPC264589
Remote Similarity 0.5986 NPC328590
Remote Similarity 0.5973 NPC104483
Remote Similarity 0.596 NPC20144
Remote Similarity 0.5946 NPC251722
Remote Similarity 0.5946 NPC469560
Remote Similarity 0.5946 NPC314102
Remote Similarity 0.5944 NPC9856
Remote Similarity 0.5942 NPC257490
Remote Similarity 0.5938 NPC313362
Remote Similarity 0.5935 NPC33421
Remote Similarity 0.5935 NPC206592
Remote Similarity 0.5933 NPC2949
Remote Similarity 0.5918 NPC198988
Remote Similarity 0.5909 NPC66775
Remote Similarity 0.5894 NPC88121
Remote Similarity 0.589 NPC313352
Remote Similarity 0.5882 NPC476566
Remote Similarity 0.5882 NPC31651
Remote Similarity 0.5867 NPC470301
Remote Similarity 0.5867 NPC88097
Remote Similarity 0.5867 NPC301760
Remote Similarity 0.5862 NPC53044
Remote Similarity 0.5862 NPC104070
Remote Similarity 0.5854 NPC329430
Remote Similarity 0.5852 NPC143156
Remote Similarity 0.5839 NPC81561
Remote Similarity 0.5833 NPC40070
Remote Similarity 0.5833 NPC315403
Remote Similarity 0.5827 NPC239854
Remote Similarity 0.5809 NPC125416
Remote Similarity 0.5806 NPC109787
Remote Similarity 0.5804 NPC271642
Remote Similarity 0.5804 NPC469949
Remote Similarity 0.5797 NPC291962
Remote Similarity 0.5797 NPC177684
Remote Similarity 0.5797 NPC54102
Remote Similarity 0.5797 NPC162689
Remote Similarity 0.5796 NPC470233
Remote Similarity 0.5789 NPC469537
Remote Similarity 0.5785 NPC191444
Remote Similarity 0.5775 NPC122718
Remote Similarity 0.5772 NPC325252
Remote Similarity 0.5766 NPC148140
Remote Similarity 0.5755 NPC161956
Remote Similarity 0.5755 NPC258531
Remote Similarity 0.5755 NPC112373
Remote Similarity 0.5733 NPC150259
Remote Similarity 0.5732 NPC154602
Remote Similarity 0.5732 NPC66936
Remote Similarity 0.5732 NPC243756
Remote Similarity 0.5724 NPC187231
Remote Similarity 0.5723 NPC476219
Remote Similarity 0.5714 NPC221786
Remote Similarity 0.5714 NPC474880
Remote Similarity 0.5714 NPC6436
Remote Similarity 0.5714 NPC301874
Remote Similarity 0.5714 NPC475990
Remote Similarity 0.5714 NPC56765
Remote Similarity 0.5714 NPC120203
Remote Similarity 0.5714 NPC98976
Remote Similarity 0.5714 NPC317642
Remote Similarity 0.5702 NPC176858
Remote Similarity 0.5695 NPC243162
Remote Similarity 0.5692 NPC474695
Remote Similarity 0.569 NPC231986
Remote Similarity 0.569 NPC307456
Remote Similarity 0.5679 NPC229173
Remote Similarity 0.5678 NPC169016
Remote Similarity 0.5676 NPC162417
Remote Similarity 0.5676 NPC316104
Remote Similarity 0.5676 NPC184437
Remote Similarity 0.5674 NPC268534
Remote Similarity 0.5669 NPC213774
Remote Similarity 0.5667 NPC43655
Remote Similarity 0.5667 NPC262295
Remote Similarity 0.5664 NPC476322
Remote Similarity 0.5664 NPC27740
Remote Similarity 0.5663 NPC91895
Remote Similarity 0.5662 NPC473901
Remote Similarity 0.5658 NPC471574
Remote Similarity 0.5658 NPC316811
Remote Similarity 0.5658 NPC32002
Remote Similarity 0.5658 NPC315348
Remote Similarity 0.5655 NPC321053
Remote Similarity 0.5646 NPC22079
Remote Similarity 0.5644 NPC469741
Remote Similarity 0.5638 NPC300299
Remote Similarity 0.5636 NPC271732
Remote Similarity 0.5634 NPC283130
Remote Similarity 0.5634 NPC328683
Remote Similarity 0.5633 NPC475763
Remote Similarity 0.5625 NPC476297
Remote Similarity 0.5621 NPC115611
Remote Similarity 0.5617 NPC474791
Remote Similarity 0.5615 NPC469974
Remote Similarity 0.5612 NPC297486
Remote Similarity 0.5612 NPC471402
Remote Similarity 0.5612 NPC240136
Remote Similarity 0.561 NPC328270
Remote Similarity 0.5608 NPC475450
Remote Similarity 0.5605 NPC470111
Remote Similarity 0.5603 NPC215519
Remote Similarity 0.56 NPC267508

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  296.13
ALogP  0.16
MLogP  3.11
XLogP  4.383
HDA  2
HBD  0
Rotatable Bonds  3
TPSA  31.78
RO5 Violation  0