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ENAMINE-ZINC05427885

 MMsINC code: MMs01611791
Type: Neutral
Formula: C18H12Cl2N4O
SMILES:   Clc1cccc(Cl)c1CN1C=Nc2n(ncc2C1=O)-c1ccccc1
InChI:   InChI=1/C18H12Cl2N4O/c19-15-7-4-8-16(20)14(15)10-23-11-21-17-13(18(23)25)9-22-24(17)12-5-2-1-3-6-12/h1-9,11H,10H2

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Potential Energy
Epot(MMFF94)=93.2566 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.227 g/mol  logS: -5.68339  SlogP: 4.7613  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101569  Sterimol/B1: 3.62426  Sterimol/B2: 3.6552  Sterimol/B3: 4.31921
  Sterimol/B4: 6.62291  Sterimol/L: 15.4794 
 
 Surface and Volume Properties
  Accessible surface: 560.261  Positive charged surface: 270.867  Negative charged surface: 289.395  Volume: 316.625
  Hydrophobic surface: 495.092  Hydrophilic surface: 65.169
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.