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NCID-ZINC01558354

 MMsINC code: MMs02221348
Type: Neutral
Formula: C15H25Cl2N2O3P
SMILES:   ClCCN(P(OCCC(OCc1ccccc1)C)(=O)N)CCCl
InChI:   InChI=1/C15H25Cl2N2O3P/c1-14(21-13-15-5-3-2-4-6-15)7-12-22-23(18,20)19(10-8-16)11-9-17/h2-6,14H,7-13H2,1H3,(H2,18,20)/t14-,23+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-0.205759 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.256 g/mol  logS: -3.18569  SlogP: 3.041  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0966448  Sterimol/B1: 2.39277  Sterimol/B2: 4.49269  Sterimol/B3: 5.71432
  Sterimol/B4: 8.90805  Sterimol/L: 17.7828 
 
 Surface and Volume Properties
  Accessible surface: 666.213  Positive charged surface: 359.502  Negative charged surface: 306.711  Volume: 350.375
  Hydrophobic surface: 412.416  Hydrophilic surface: 253.797
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.