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ACROSORGANICS-ZINC01718820

 MMsINC code: MMs00011611
Type: Neutral
Formula: C4H7NO3
SMILES:   OC(=O)CCC(=O)N
InChI:   InChI=1/C4H7NO3/c5-3(6)1-2-4(7)8/h1-2H2,(H2,5,6)(H,7,8)

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Potential Energy
Epot(MMFF94)=-10.625 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 117.104 g/mol  logS: 0.37122  SlogP: -0.6635  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0431371  Sterimol/B1: 2.3749  Sterimol/B2: 2.37525  Sterimol/B3: 2.8021
  Sterimol/B4: 3.75892  Sterimol/L: 10.3551 
 
 Surface and Volume Properties
  Accessible surface: 282.014  Positive charged surface: 183.773  Negative charged surface: 98.2406  Volume: 102.625
  Hydrophobic surface: 73.4234  Hydrophilic surface: 208.5906
 
 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


MMs00011612
ACROSORGANICS-ZINC01718820