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ACDBLOCKS-ZINC04237618

 MMsINC code: MMs00002517
Type: Neutral
Formula: C6H13NO2
SMILES:   O(C(=O)C(N)(CC)C)C
InChI:   InChI=1/C6H13NO2/c1-4-6(2,7)5(8)9-3/h4,7H2,1-3H3/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=36.1232 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 131.175 g/mol  logS: -0.54626  SlogP: 0.2868  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.182824  Sterimol/B1: 2.82505  Sterimol/B2: 2.99998  Sterimol/B3: 3.75639
  Sterimol/B4: 4.2288  Sterimol/L: 10.5673 
 
 Surface and Volume Properties
  Accessible surface: 324.125  Positive charged surface: 245.334  Negative charged surface: 78.7907  Volume: 137.25
  Hydrophobic surface: 211.895  Hydrophilic surface: 112.23
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.