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PUBCHEM-ZINC06311611

 MMsINC code: MMs03669936
Type: Neutral
Formula: C19H20Cl2N2O2S
SMILES:   Clc1cc(Cl)ccc1OCCCC(=O)NC(=S)N(CC)c1ccccc1
InChI:   InChI=1/C19H20Cl2N2O2S/c1-2-23(15-7-4-3-5-8-15)19(26)22-18(24)9-6-12-25-17-11-10-14(20)13-16(17)21/h3-5,7-8,10-11,13H,2,6,9,12H2,1H3,(H,22,24,26)

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Potential Energy
Epot(MMFF94)=115.389 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 411.353 g/mol  logS: -6.90561  SlogP: 5.08  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0273698  Sterimol/B1: 2.5652  Sterimol/B2: 2.67941  Sterimol/B3: 4.59433
  Sterimol/B4: 7.79734  Sterimol/L: 22.0278 
 
 Surface and Volume Properties
  Accessible surface: 688.955  Positive charged surface: 348.101  Negative charged surface: 340.854  Volume: 370.25
  Hydrophobic surface: 590.856  Hydrophilic surface: 98.099
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.