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IBS-ZINC01875755

 MMsINC code: MMs01779499
Type: Neutral
Formula: C10H22NO4P
SMILES:   P(OCC)(OCC)(=O)CCN1CCOCC1
InChI:   InChI=1/C10H22NO4P/c1-3-14-16(12,15-4-2)10-7-11-5-8-13-9-6-11/h3-10H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.1597 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.263 g/mol  logS: -0.45517  SlogP: 0.5145  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0973856  Sterimol/B1: 2.07858  Sterimol/B2: 3.3378  Sterimol/B3: 4.52401
  Sterimol/B4: 8.06467  Sterimol/L: 14.4632 
 
 Surface and Volume Properties
  Accessible surface: 507.85  Positive charged surface: 407.211  Negative charged surface: 100.638  Volume: 246.125
  Hydrophobic surface: 410.779  Hydrophilic surface: 97.071
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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


MMs01779500
IBS-ZINC01875755