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PUBCHEM-ZINC00732701

 MMsINC code: MMs02734054
Type: Neutral
Formula: C20H20Cl2N4O
SMILES:   Clc1ccc(NC(=O)Nc2n(nc(c2)C(C)(C)C)-c2ccc(Cl)cc2)cc1
InChI:   InChI=1/C20H20Cl2N4O/c1-20(2,3)17-12-18(26(25-17)16-10-6-14(22)7-11-16)24-19(27)23-15-8-4-13(21)5-9-15/h4-12H,1-3H3,(H2,23,24,27)

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Potential Energy
Epot(MMFF94)=106.05 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.313 g/mol  logS: -6.1045  SlogP: 6.1206  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0575223  Sterimol/B1: 2.24634  Sterimol/B2: 2.6743  Sterimol/B3: 4.90115
  Sterimol/B4: 11.9859  Sterimol/L: 16.3107 
 
 Surface and Volume Properties
  Accessible surface: 671.496  Positive charged surface: 319.676  Negative charged surface: 351.819  Volume: 365.25
  Hydrophobic surface: 572.081  Hydrophilic surface: 99.415
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.