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ACROSORGANICS-ZINC06731720

 MMsINC code: MMs00019133
Type: Neutral
Formula: C7H13NO2
SMILES:   O1CC(NC1=O)CCCC
InChI:   InChI=1/C7H13NO2/c1-2-3-4-6-5-10-7(9)8-6/h6H,2-5H2,1H3,(H,8,9)/t6-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.1646 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 143.186 g/mol  logS: -1.54819  SlogP: 1.285  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0936944  Sterimol/B1: 3.00654  Sterimol/B2: 3.08526  Sterimol/B3: 3.59992
  Sterimol/B4: 3.61918  Sterimol/L: 11.2185 
 
 Surface and Volume Properties
  Accessible surface: 342.215  Positive charged surface: 252.538  Negative charged surface: 89.677  Volume: 147.25
  Hydrophobic surface: 219.464  Hydrophilic surface: 122.751
 
 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.