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ACROSORGANICS-ZINC01532340

 MMsINC code: MMs00009010
Type: Neutral
Formula: C4H9NO2
SMILES:   OC(=O)CNCC
InChI:   InChI=1/C4H9NO2/c1-2-5-3-4(6)7/h5H,2-3H2,1H3,(H,6,7)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.6492 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 103.121 g/mol  logS: 0.31947  SlogP: -0.3195  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0641585  Sterimol/B1: 2.43955  Sterimol/B2: 2.5491  Sterimol/B3: 2.88075
  Sterimol/B4: 3.1391  Sterimol/L: 10.552 
 
 Surface and Volume Properties
  Accessible surface: 287.557  Positive charged surface: 208.491  Negative charged surface: 79.0663  Volume: 103.625
  Hydrophobic surface: 143.529  Hydrophilic surface: 144.028
 
 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.