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NCID-ZINC01602473

 MMsINC code: MMs02255317
Type: Neutral
Formula: C12H19Cl2N2O3P
SMILES:   Clc1cc(Cl)ccc1OCCOP(=O)(N(C)C)N(C)C
InChI:   InChI=1/C12H19Cl2N2O3P/c1-15(2)20(17,16(3)4)19-8-7-18-12-6-5-10(13)9-11(12)14/h5-6,9H,7-8H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=15.6546 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.175 g/mol  logS: -2.21586  SlogP: 2.5499  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129055  Sterimol/B1: 2.21456  Sterimol/B2: 3.59508  Sterimol/B3: 4.88016
  Sterimol/B4: 7.56282  Sterimol/L: 15.964 
 
 Surface and Volume Properties
  Accessible surface: 564.627  Positive charged surface: 362.21  Negative charged surface: 202.418  Volume: 297.125
  Hydrophobic surface: 540.258  Hydrophilic surface: 24.369
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.