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CHEMDIV-ZINC06738057

 MMsINC code: MMs01006346
Type: Neutral
Formula: C10H14N2O3
SMILES:   O1CCCC1CNC(=O)c1onc(c1)C
InChI:   InChI=1/C10H14N2O3/c1-7-5-9(15-12-7)10(13)11-6-8-3-2-4-14-8/h5,8H,2-4,6H2,1H3,(H,11,13)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=36.8115 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.233 g/mol  logS: -1.33869  SlogP: 0.89182  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0340007  Sterimol/B1: 2.9514  Sterimol/B2: 3.16585  Sterimol/B3: 3.1842
  Sterimol/B4: 4.18935  Sterimol/L: 15.1186 
 
 Surface and Volume Properties
  Accessible surface: 437.298  Positive charged surface: 301.897  Negative charged surface: 135.4  Volume: 198.75
  Hydrophobic surface: 351.997  Hydrophilic surface: 85.301
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.