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PUBCHEM-ZINC05605862

 MMsINC code: MMs03322759
Type: Neutral
Formula: C11H19NO2
SMILES:   O(C(=O)C1C2N(CCC1)CCCC2)C
InChI:   InChI=1/C11H19NO2/c1-14-11(13)9-5-4-8-12-7-3-2-6-10(9)12/h9-10H,2-8H2,1H3/t9-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=24.3778 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.278 g/mol  logS: -0.95961  SlogP: 1.4239  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.245162  Sterimol/B1: 2.56092  Sterimol/B2: 2.60708  Sterimol/B3: 4.24042
  Sterimol/B4: 6.53162  Sterimol/L: 11.2594 
 
 Surface and Volume Properties
  Accessible surface: 399.342  Positive charged surface: 343.443  Negative charged surface: 55.8989  Volume: 204.25
  Hydrophobic surface: 381.022  Hydrophilic surface: 18.32
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03322760
PUBCHEM-ZINC05605862