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NCID-ZINC01589994

 MMsINC code: MMs02245082
Type: Neutral
Formula: C9H18Cl3O3P
SMILES:   ClC(Cl)(Cl)P(OCCCC)(OCCCC)=O
InChI:   InChI=1/C9H18Cl3O3P/c1-3-5-7-14-16(13,9(10,11)12)15-8-6-4-2/h3-8H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.1562 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.573 g/mol  logS: -4.1635  SlogP: 4.4903  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0763063  Sterimol/B1: 2.46903  Sterimol/B2: 3.89829  Sterimol/B3: 3.98908
  Sterimol/B4: 9.02796  Sterimol/L: 13.8246 
 
 Surface and Volume Properties
  Accessible surface: 549.675  Positive charged surface: 282.964  Negative charged surface: 266.711  Volume: 262
  Hydrophobic surface: 305.856  Hydrophilic surface: 243.819
 
 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.