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CHEMDIV-ZINC02713241

 MMsINC code: MMs00885213
Type: Neutral
Formula: C19H19ClN4O2
SMILES:   Clc1cc(NC(=O)c2nnn(c2C)-c2cccc(C)c2C)c(OC)cc1
InChI:   InChI=1/C19H19ClN4O2/c1-11-6-5-7-16(12(11)2)24-13(3)18(22-23-24)19(25)21-15-10-14(20)8-9-17(15)26-4/h5-10H,1-4H3,(H,21,25)

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Potential Energy
Epot(MMFF94)=123.681 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.84 g/mol  logS: -4.91441  SlogP: 4.10686  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0542118  Sterimol/B1: 3.0224  Sterimol/B2: 3.94949  Sterimol/B3: 4.87216
  Sterimol/B4: 6.42622  Sterimol/L: 17.9511 
 
 Surface and Volume Properties
  Accessible surface: 629.897  Positive charged surface: 349.548  Negative charged surface: 280.349  Volume: 341.125
  Hydrophobic surface: 552.695  Hydrophilic surface: 77.202
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.