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FDA-ZINC00896740

 MMsINC code: MMs01725313
Type: Neutral
Formula: C18H14Cl4N2O
SMILES:   Clc1cc(Cl)ccc1C(OCc1ccc(Cl)cc1Cl)Cn1ccnc1
InChI:   InChI=1/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2/t18-/m0/s1

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Potential Energy
Epot(MMFF94)=68.2367 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.135 g/mol  logS: -6.49871  SlogP: 7.0831  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100418  Sterimol/B1: 2.83692  Sterimol/B2: 2.89812  Sterimol/B3: 4.60711
  Sterimol/B4: 8.68268  Sterimol/L: 15.9459 
 
 Surface and Volume Properties
  Accessible surface: 599.324  Positive charged surface: 237.649  Negative charged surface: 361.675  Volume: 347.25
  Hydrophobic surface: 565.915  Hydrophilic surface: 33.409
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.