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CHEMDIV-ZINC06866150

 MMsINC code: MMs01048380
Type: Neutral
Formula: C15H13ClN4O2
SMILES:   Clc1ccc(nc1)NC(=O)NCc1noc2c1cc(cc2)C
InChI:   InChI=1/C15H13ClN4O2/c1-9-2-4-13-11(6-9)12(20-22-13)8-18-15(21)19-14-5-3-10(16)7-17-14/h2-7H,8H2,1H3,(H2,17,18,19,21)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.9298 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.748 g/mol  logS: -4.10337  SlogP: 3.77272  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0612177  Sterimol/B1: 2.02688  Sterimol/B2: 3.50764  Sterimol/B3: 4.15701
  Sterimol/B4: 7.44556  Sterimol/L: 17.9227 
 
 Surface and Volume Properties
  Accessible surface: 557.077  Positive charged surface: 299.051  Negative charged surface: 253.528  Volume: 278.5
  Hydrophobic surface: 442.214  Hydrophilic surface: 114.863
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.