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ACROSORGANICS-ZINC01677558

 MMsINC code: MMs00010659
Type: Neutral
Formula: C3H9NO
SMILES:   ONC(C)C
InChI:   InChI=1/C3H9NO/c1-3(2)4-5/h3-5H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.9206 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 75.111 g/mol  logS: 0.26029  SlogP: 0.3736  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.24027  Sterimol/B1: 2.09012  Sterimol/B2: 2.59166  Sterimol/B3: 2.94553
  Sterimol/B4: 4.83521  Sterimol/L: 8.10655 
 
 Surface and Volume Properties
  Accessible surface: 249.128  Positive charged surface: 177.772  Negative charged surface: 71.3563  Volume: 85.75
  Hydrophobic surface: 124.669  Hydrophilic surface: 124.459
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.