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NCID-ZINC05606770

 MMsINC code: MMs02479815
Type: Neutral
Formula: C5H9NO2
SMILES:   O1C(CCNC1=O)C
InChI:   InChI=1/C5H9NO2/c1-4-2-3-6-5(7)8-4/h4H,2-3H2,1H3,(H,6,7)/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=-9.51269 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 115.132 g/mol  logS: -0.51775  SlogP: 0.5048  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143991  Sterimol/B1: 2.83546  Sterimol/B2: 2.96219  Sterimol/B3: 3.6318
  Sterimol/B4: 4.02286  Sterimol/L: 8.45848 
 
 Surface and Volume Properties
  Accessible surface: 284.559  Positive charged surface: 207.158  Negative charged surface: 77.4014  Volume: 111.25
  Hydrophobic surface: 163.982  Hydrophilic surface: 120.577
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.