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ACROSORGANICS-ZINC00901648

 MMsINC code: MMs00008296
Type: Neutral
Formula: C3H7NO
SMILES:   O=CN(C)C
InChI:   InChI=1/C3H7NO/c1-4(2)3-5/h3H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.9471 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 73.095 g/mol  logS: 0.4466  SlogP: -0.2956  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150502  Sterimol/B1: 2.42325  Sterimol/B2: 2.51251  Sterimol/B3: 2.51308
  Sterimol/B4: 4.44201  Sterimol/L: 7.01287 
 
 Surface and Volume Properties
  Accessible surface: 239.271  Positive charged surface: 207.435  Negative charged surface: 31.8356  Volume: 81.375
  Hydrophobic surface: 175.988  Hydrophilic surface: 63.283
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.