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ENAMINE-ZINC02635420

 MMsINC code: MMs01265252
Type: Neutral
Formula: C17H16Cl2N2
SMILES:   Clc1ccc(cc1)CN1C2N(CCC2)c2c1cc(Cl)cc2
InChI:   InChI=1/C17H16Cl2N2/c18-13-5-3-12(4-6-13)11-21-16-10-14(19)7-8-15(16)20-9-1-2-17(20)21/h3-8,10,17H,1-2,9,11H2/t17-/m0/s1

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Potential Energy
Epot(MMFF94)=168.077 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 319.235 g/mol  logS: -5.05813  SlogP: 5.2063  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0949629  Sterimol/B1: 2.4617  Sterimol/B2: 3.3601  Sterimol/B3: 3.52019
  Sterimol/B4: 7.82331  Sterimol/L: 14.2524 
 
 Surface and Volume Properties
  Accessible surface: 513.102  Positive charged surface: 267.682  Negative charged surface: 245.42  Volume: 290.5
  Hydrophobic surface: 491.633  Hydrophilic surface: 21.469
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.