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ACDBLOCKS-ZINC04237617

 MMsINC code: MMs00002516
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-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.0656 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: 0.19138  Sterimol/B1: 2.81221  Sterimol/B2: 3.10119  Sterimol/B3: 3.52618
  Sterimol/B4: 4.28894  Sterimol/L: 10.601 
 
 Surface and Volume Properties
  Accessible surface: 326.502  Positive charged surface: 250.75  Negative charged surface: 75.7518  Volume: 137.625
  Hydrophobic surface: 213.574  Hydrophilic surface: 112.928
 
 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.