Drug Information

Drug ID:  NPD450
Drug Name:  Muzolimine
Molecular Formula:  C11H11Cl2N3O
Canonical SMILES:  N=C1CC(=O)N(N1)C(c1ccc(c(c1)Cl)Cl)C
Standard InCHI:  InChI=1S/C11H11Cl2N3O/c1-6(16-11(17)5-10(14)15-16)7-2-3-8(12)9(13)4-7/h2-4,6H,5H2,1H3,(H2,14,15)
Standard InCHIKey:  RLWRMIYXDPXIEX-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD450

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 0.6525 NPC320656
Remote Similarity 0.6269 NPC471310
Remote Similarity 0.6241 NPC113099
Remote Similarity 0.6159 NPC77294
Remote Similarity 0.6154 NPC469330
Remote Similarity 0.6129 NPC325599
Remote Similarity 0.6127 NPC471318
Remote Similarity 0.6103 NPC275467
Remote Similarity 0.6015 NPC472258
Remote Similarity 0.5974 NPC207428
Remote Similarity 0.5942 NPC143516
Remote Similarity 0.5899 NPC474804
Remote Similarity 0.5899 NPC474973
Remote Similarity 0.5899 NPC130898
Remote Similarity 0.5822 NPC14672
Remote Similarity 0.5822 NPC285926
Remote Similarity 0.5822 NPC315276
Remote Similarity 0.5789 NPC7067
Remote Similarity 0.5789 NPC73655
Remote Similarity 0.5786 NPC473498
Remote Similarity 0.5779 NPC313722
Remote Similarity 0.5772 NPC200964
Remote Similarity 0.5745 NPC55529
Remote Similarity 0.5733 NPC71684
Remote Similarity 0.5733 NPC202521
Remote Similarity 0.5725 NPC329375
Remote Similarity 0.5724 NPC276949
Remote Similarity 0.5724 NPC35850
Remote Similarity 0.5714 NPC473661
Remote Similarity 0.5704 NPC471320
Remote Similarity 0.5704 NPC473676
Remote Similarity 0.5704 NPC471319
Remote Similarity 0.5704 NPC164802
Remote Similarity 0.5696 NPC316104
Remote Similarity 0.5696 NPC162417
Remote Similarity 0.5685 NPC33742
Remote Similarity 0.5679 NPC468984
Remote Similarity 0.5672 NPC322040
Remote Similarity 0.5672 NPC474974
Remote Similarity 0.5667 NPC476990
Remote Similarity 0.5667 NPC317564
Remote Similarity 0.5658 NPC6975
Remote Similarity 0.5645 NPC325662
Remote Similarity 0.5645 NPC98269
Remote Similarity 0.5625 NPC313981
Remote Similarity 0.5621 NPC22746
Remote Similarity 0.5608 NPC470544
Remote Similarity 0.5603 NPC473418
Remote Similarity 0.5603 NPC474559
Remote Similarity 0.56 NPC12857

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  271.03
ALogP  0.4129
MLogP  2.01
XLogP  2.722
HDA  4
HBD  2
Rotatable Bonds  5
TPSA  56.19
RO5 Violation  0