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ACROSORGANICS-ZINC06731723

 MMsINC code: MMs00019134
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-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.12744 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: 0.0937152  Sterimol/B1: 3.00725  Sterimol/B2: 3.0845  Sterimol/B3: 3.59978
  Sterimol/B4: 3.61865  Sterimol/L: 11.2186 
 
 Surface and Volume Properties
  Accessible surface: 340.685  Positive charged surface: 250.333  Negative charged surface: 90.3516  Volume: 147.25
  Hydrophobic surface: 218.715  Hydrophilic surface: 121.97
 
 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.