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NCID-ZINC00394783

 MMsINC code: MMs02215308
Type: Neutral
Formula: C7H13NO2
SMILES:   O(CC)C(=O)N1CCCC1
InChI:   InChI=1/C7H13NO2/c1-2-10-7(9)8-5-3-4-6-8/h2-6H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-2.60122 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 143.186 g/mol  logS: -0.61353  SlogP: 1.2387  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0597219  Sterimol/B1: 2.74594  Sterimol/B2: 2.84049  Sterimol/B3: 2.93421
  Sterimol/B4: 4.35919  Sterimol/L: 11.8671 
 
 Surface and Volume Properties
  Accessible surface: 357.961  Positive charged surface: 285.683  Negative charged surface: 72.2786  Volume: 148.25
  Hydrophobic surface: 295.082  Hydrophilic surface: 62.879
 
 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.