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CHEMDIV-ZINC06720893

 MMsINC code: MMs01000416
Type: Neutral
Formula: C10H15NO3
SMILES:   O1CCN(C(=O)C1=O)C1CCCCC1
InChI:   InChI=1/C10H15NO3/c12-9-10(13)14-7-6-11(9)8-4-2-1-3-5-8/h8H,1-7H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.1676 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.234 g/mol  logS: -1.68527  SlogP: 0.7045  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.197884  Sterimol/B1: 3.50987  Sterimol/B2: 3.79694  Sterimol/B3: 3.85661
  Sterimol/B4: 4.13314  Sterimol/L: 11.3854 
 
 Surface and Volume Properties
  Accessible surface: 382.281  Positive charged surface: 279.216  Negative charged surface: 103.064  Volume: 188
  Hydrophobic surface: 290.635  Hydrophilic surface: 91.646
 
 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.