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NCID-ZINC05521516

 MMsINC code: MMs02470513
Type: Neutral
Formula: C8H15NO2
SMILES:   O(C(=O)C)C1CCCN(C1)C
InChI:   InChI=1/C8H15NO2/c1-7(10)11-8-4-3-5-9(2)6-8/h8H,3-6H2,1-2H3/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=17.5106 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.213 g/mol  logS: -0.45634  SlogP: 0.6437  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0918357  Sterimol/B1: 2.64792  Sterimol/B2: 3.36213  Sterimol/B3: 3.92334
  Sterimol/B4: 4.45845  Sterimol/L: 11.1891 
 
 Surface and Volume Properties
  Accessible surface: 367.507  Positive charged surface: 292.049  Negative charged surface: 75.4585  Volume: 166.125
  Hydrophobic surface: 325.49  Hydrophilic surface: 42.017
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02470514
NCID-ZINC05521516