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NCID-ZINC01571923

 MMsINC code: MMs02231845
Type: Neutral
Formula: C10H15Cl2N2O2P
SMILES:   ClCCNP(Oc1ccccc1)(=O)NCCCl
InChI:   InChI=1/C10H15Cl2N2O2P/c11-6-8-13-17(15,14-9-7-12)16-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,13,14,15)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.30365 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.122 g/mol  logS: -1.98404  SlogP: 1.7601  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.125033  Sterimol/B1: 2.89621  Sterimol/B2: 3.55922  Sterimol/B3: 3.87278
  Sterimol/B4: 6.1553  Sterimol/L: 14.5685 
 
 Surface and Volume Properties
  Accessible surface: 488.689  Positive charged surface: 243.515  Negative charged surface: 245.174  Volume: 252.875
  Hydrophobic surface: 284.1  Hydrophilic surface: 204.589
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.