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CHEMDIV-ZINC00263866

 MMsINC code: MMs00847989
Type: Neutral
Formula: C18H23ClN4O
SMILES:   Clc1ccc(NC(=O)N(C(C)c2ccncc2)CCN(C)C)cc1
InChI:   InChI=1/C18H23ClN4O/c1-14(15-8-10-20-11-9-15)23(13-12-22(2)3)18(24)21-17-6-4-16(19)5-7-17/h4-11,14H,12-13H2,1-3H3,(H,21,24)/t14-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.4791 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.862 g/mol  logS: -2.79135  SlogP: 3.9872  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.206536  Sterimol/B1: 2.35622  Sterimol/B2: 6.21291  Sterimol/B3: 6.45749
  Sterimol/B4: 7.01095  Sterimol/L: 14.3326 
 
 Surface and Volume Properties
  Accessible surface: 596.408  Positive charged surface: 402.127  Negative charged surface: 194.281  Volume: 339.5
  Hydrophobic surface: 542.495  Hydrophilic surface: 53.913
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00847990
CHEMDIV-ZINC00263866