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NCID-ZINC00393697

 MMsINC code: MMs02214978
Type: Neutral
Formula: C7H13NO3
SMILES:   O1CCN(CC1)C(OCC)=O
InChI:   InChI=1/C7H13NO3/c1-2-11-7(9)8-3-5-10-6-4-8/h2-6H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.5012 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 159.185 g/mol  logS: -0.35263  SlogP: 0.4751  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0819653  Sterimol/B1: 2.89618  Sterimol/B2: 3.26969  Sterimol/B3: 3.61981
  Sterimol/B4: 4.24563  Sterimol/L: 11.7923 
 
 Surface and Volume Properties
  Accessible surface: 360.429  Positive charged surface: 300.426  Negative charged surface: 60.0029  Volume: 156.375
  Hydrophobic surface: 289.009  Hydrophilic surface: 71.42
 
 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.