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PUBCHEM-ZINC05974786

 MMsINC code: MMs03470506
Type: Neutral
Formula: C24H20ClN3O
SMILES:   Clc1ccc(cc1)/C(=N\OCc1ccc(cc1)-c1ccccc1)/Cn1ccnc1
InChI:   InChI=1/C24H20ClN3O/c25-23-12-10-22(11-13-23)24(16-28-15-14-26-18-28)27-29-17-19-6-8-21(9-7-19)20-4-2-1-3-5-20/h1-15,18H,16-17H2/b27-24-

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Potential Energy
Epot(MMFF94)=114.651 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.897 g/mol  logS: -7.13848  SlogP: 6.3574  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0827897  Sterimol/B1: 3.71486  Sterimol/B2: 4.57027  Sterimol/B3: 5.32131
  Sterimol/B4: 6.67744  Sterimol/L: 19.0822 
 
 Surface and Volume Properties
  Accessible surface: 703.411  Positive charged surface: 388.086  Negative charged surface: 305.578  Volume: 391.625
  Hydrophobic surface: 649.626  Hydrophilic surface: 53.785
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.