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ASINEX-ZINC00074255

 MMsINC code: MMs00069620
Type: Neutral
Formula: C13H14Cl2N2O2
SMILES:   Clc1cc(Cl)ccc1OCC(O)Cn1ccnc1C
InChI:   InChI=1/C13H14Cl2N2O2/c1-9-16-4-5-17(9)7-11(18)8-19-13-3-2-10(14)6-12(13)15/h2-6,11,18H,7-8H2,1H3/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=55.9122 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.173 g/mol  logS: -2.98616  SlogP: 3.20462  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0895722  Sterimol/B1: 2.16531  Sterimol/B2: 3.82426  Sterimol/B3: 5.08721
  Sterimol/B4: 6.11173  Sterimol/L: 16.7399 
 
 Surface and Volume Properties
  Accessible surface: 524.096  Positive charged surface: 270.277  Negative charged surface: 253.819  Volume: 264.25
  Hydrophobic surface: 451.983  Hydrophilic surface: 72.113
 
 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: no related molecules available.