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AURORAFEINCHEMIE-ZINC02568904

 MMsINC code: MMs00454915
Type: Neutral
Formula: C9H21O2P
SMILES:   P(OCCC)(OCCC)CCC
InChI:   InChI=1/C9H21O2P/c1-4-7-10-12(9-6-3)11-8-5-2/h4-9H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.0387 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.239 g/mol  logS: -1.3478  SlogP: 3.5615  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0542119  Sterimol/B1: 2.715  Sterimol/B2: 3.28817  Sterimol/B3: 3.64657
  Sterimol/B4: 6.39132  Sterimol/L: 14.2236 
 
 Surface and Volume Properties
  Accessible surface: 468.005  Positive charged surface: 366.527  Negative charged surface: 101.478  Volume: 212.625
  Hydrophobic surface: 385.775  Hydrophilic surface: 82.23
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.