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PUBCHEM-ZINC04203972

 MMsINC code: MMs03099916
Type: Neutral
Formula: C6H11NO3
SMILES:   OC(=O)C1CNCC1CO
InChI:   InChI=1/C6H11NO3/c8-3-4-1-7-2-5(4)6(9)10/h4-5,7-8H,1-3H2,(H,9,10)/t4-,5+/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.21804 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 145.158 g/mol  logS: 0.86757  SlogP: -1.1011  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.194536  Sterimol/B1: 2.54183  Sterimol/B2: 2.88002  Sterimol/B3: 3.47264
  Sterimol/B4: 4.8124  Sterimol/L: 9.7081 
 
 Surface and Volume Properties
  Accessible surface: 319.277  Positive charged surface: 245.505  Negative charged surface: 73.7713  Volume: 134.125
  Hydrophobic surface: 150.441  Hydrophilic surface: 168.836
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.