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ACROSORGANICS-ZINC01615390

 MMsINC code: MMs00009906
Type: Neutral
Formula: C5H11NO2
SMILES:   OC(=O)CCCNC
InChI:   InChI=1/C5H11NO2/c1-6-4-2-3-5(7)8/h6H,2-4H2,1H3,(H,7,8)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-5.95578 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 117.148 g/mol  logS: 0.56299  SlogP: 0.0706  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0534748  Sterimol/B1: 2.49187  Sterimol/B2: 2.59943  Sterimol/B3: 2.72361
  Sterimol/B4: 3.20158  Sterimol/L: 11.7736 
 
 Surface and Volume Properties
  Accessible surface: 314.151  Positive charged surface: 249.328  Negative charged surface: 64.8233  Volume: 121.5
  Hydrophobic surface: 188.623  Hydrophilic surface: 125.528
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.