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CHEMSTAR-ZINC04155214

 MMsINC code: MMs01109202
Type: Neutral
Formula: C15H17Cl3N2O2
SMILES:   Clc1cc(Cl)c(Cl)cc1OCC(=O)NN=C1CCCCCC1
InChI:   InChI=1/C15H17Cl3N2O2/c16-11-7-13(18)14(8-12(11)17)22-9-15(21)20-19-10-5-3-1-2-4-6-10/h7-8H,1-6,9H2,(H,20,21)

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Potential Energy
Epot(MMFF94)=95.2718 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.672 g/mol  logS: -5.6954  SlogP: 4.852  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0236851  Sterimol/B1: 3.11647  Sterimol/B2: 3.15379  Sterimol/B3: 4.39065
  Sterimol/B4: 5.90997  Sterimol/L: 18.4578 
 
 Surface and Volume Properties
  Accessible surface: 590.928  Positive charged surface: 287.348  Negative charged surface: 303.581  Volume: 310.25
  Hydrophobic surface: 526.599  Hydrophilic surface: 64.329
 
 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.