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PUBCHEM-ZINC06273364

 MMsINC code: MMs03652147
Type: Neutral
Formula: C7H14N2O2
SMILES:   O=C(NCCCCC)C(=O)N
InChI:   InChI=1/C7H14N2O2/c1-2-3-4-5-9-7(11)6(8)10/h2-5H2,1H3,(H2,8,10)(H,9,11)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=15.7732 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.201 g/mol  logS: -1.60109  SlogP: -0.2219  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0273667  Sterimol/B1: 2.37517  Sterimol/B2: 2.37522  Sterimol/B3: 3.05302
  Sterimol/B4: 3.6631  Sterimol/L: 14.3468 
 
 Surface and Volume Properties
  Accessible surface: 384.373  Positive charged surface: 281.747  Negative charged surface: 102.626  Volume: 160.5
  Hydrophobic surface: 196.091  Hydrophilic surface: 188.282
 
 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.