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ACROSORGANICS-ZINC00155375

 MMsINC code: MMs00005143
Type: Neutral
Formula: C8H15NO2
SMILES:   O(C(=O)C1NCCCC1)CC
InChI:   InChI=1/C8H15NO2/c1-2-11-8(10)7-5-3-4-6-9-7/h7,9H,2-6H2,1H3/t7-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.9783 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.213 g/mol  logS: -0.84701  SlogP: 0.6916  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0740006  Sterimol/B1: 2.54352  Sterimol/B2: 3.3482  Sterimol/B3: 3.37374
  Sterimol/B4: 3.97272  Sterimol/L: 12.6027 
 
 Surface and Volume Properties
  Accessible surface: 373.615  Positive charged surface: 294.451  Negative charged surface: 79.1633  Volume: 163.875
  Hydrophobic surface: 292.495  Hydrophilic surface: 81.12
 
 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


MMs00005144
ACROSORGANICS-ZINC00155375