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PUBCHEM-ZINC00751191

 MMsINC code: MMs02737421
Type: Neutral
Formula: C18H23ClN4O2
SMILES:   Clc1ccc(-n2nc(cc2NC(=O)CN(C(=O)C)C)C(C)(C)C)cc1
InChI:   InChI=1/C18H23ClN4O2/c1-12(24)22(5)11-17(25)20-16-10-15(18(2,3)4)21-23(16)14-8-6-13(19)7-9-14/h6-10H,11H2,1-5H3,(H,20,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=111.626 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.861 g/mol  logS: -3.77907  SlogP: 3.24  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0911739  Sterimol/B1: 2.84285  Sterimol/B2: 4.74266  Sterimol/B3: 5.3823
  Sterimol/B4: 9.29164  Sterimol/L: 14.4469 
 
 Surface and Volume Properties
  Accessible surface: 635.289  Positive charged surface: 370.308  Negative charged surface: 264.98  Volume: 346.5
  Hydrophobic surface: 516.274  Hydrophilic surface: 119.015
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.