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CHEMBRIDGE-ZINC02921476

 MMsINC code: MMs00741490
Type: Neutral
Formula: C14H20Cl2N2O2
SMILES:   Clc1cc(Cl)ccc1OC(C(=O)NCCCN(C)C)C
InChI:   InChI=1/C14H20Cl2N2O2/c1-10(14(19)17-7-4-8-18(2)3)20-13-6-5-11(15)9-12(13)16/h5-6,9-10H,4,7-8H2,1-3H3,(H,17,19)/t10-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.9487 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 319.232 g/mol  logS: -3.50328  SlogP: 2.8286  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0446172  Sterimol/B1: 2.03754  Sterimol/B2: 3.96056  Sterimol/B3: 5.06073
  Sterimol/B4: 5.24612  Sterimol/L: 19.1893 
 
 Surface and Volume Properties
  Accessible surface: 588.173  Positive charged surface: 362.04  Negative charged surface: 226.133  Volume: 296.625
  Hydrophobic surface: 520.408  Hydrophilic surface: 67.765
 
 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


MMs00741491
CHEMBRIDGE-ZINC02921476