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ENAMINE-ZINC03399169

 MMsINC code: MMs01418970
Type: Neutral
Formula: C7H14N2O2
SMILES:   O1CCN(CC1)C(=O)CNC
InChI:   InChI=1/C7H14N2O2/c1-8-6-7(10)9-2-4-11-5-3-9/h8H,2-6H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.776 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.201 g/mol  logS: 0.28446  SlogP: -0.9354  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0815375  Sterimol/B1: 2.76392  Sterimol/B2: 3.45238  Sterimol/B3: 3.90393
  Sterimol/B4: 3.95502  Sterimol/L: 11.8573 
 
 Surface and Volume Properties
  Accessible surface: 360.803  Positive charged surface: 318.778  Negative charged surface: 42.0247  Volume: 159
  Hydrophobic surface: 288.997  Hydrophilic surface: 71.806
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.