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PUBCHEM-ZINC02169633

 MMsINC code: MMs02879721
Type: Neutral
Formula: C6H10N2O2
SMILES:   O=C1NC(=O)NC1CCC
InChI:   InChI=1/C6H10N2O2/c1-2-3-4-5(9)8-6(10)7-4/h4H,2-3H2,1H3,(H2,7,8,9,10)/t4-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-13.6289 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.158 g/mol  logS: -1.18468  SlogP: -0.0055  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.1105  Sterimol/B1: 2.54323  Sterimol/B2: 3.57571  Sterimol/B3: 3.60628
  Sterimol/B4: 4.12708  Sterimol/L: 10.225 
 
 Surface and Volume Properties
  Accessible surface: 322.394  Positive charged surface: 210.863  Negative charged surface: 111.531  Volume: 132.625
  Hydrophobic surface: 139.08  Hydrophilic surface: 183.314
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.