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NCID-ZINC04202707

 MMsINC code: MMs02383018
Type: Neutral
Formula: C7H13NO2
SMILES:   O(C(=O)C1(N)CCCC1)C
InChI:   InChI=1/C7H13NO2/c1-10-6(9)7(8)4-2-3-5-7/h2-5,8H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.4443 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 143.186 g/mol  logS: -0.64599  SlogP: 0.4309  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.178868  Sterimol/B1: 3.16343  Sterimol/B2: 3.35127  Sterimol/B3: 3.4591
  Sterimol/B4: 3.63272  Sterimol/L: 10.515 
 
 Surface and Volume Properties
  Accessible surface: 335.08  Positive charged surface: 262.229  Negative charged surface: 72.8504  Volume: 146.25
  Hydrophobic surface: 259.568  Hydrophilic surface: 75.512
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.