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ENAMINE-ZINC03357003

 MMsINC code: MMs01393357
Type: Neutral
Formula: C11H18NO3-
SMILES:   O=C([O-])C1(CCCC1)CC(=O)NC(C)C
InChI:   InChI=1/C11H19NO3/c1-8(2)12-9(13)7-11(10(14)15)5-3-4-6-11/h8H,3-7H2,1-2H3,(H,12,13)(H,14,15)/p-1

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Potential Energy
Epot(MMFF94)=5.66334 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.269 g/mol  logS: -1.7696  SlogP: 0.2114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139825  Sterimol/B1: 2.33431  Sterimol/B2: 3.18989  Sterimol/B3: 3.76394
  Sterimol/B4: 5.12254  Sterimol/L: 12.786 
 
 Surface and Volume Properties
  Accessible surface: 417.098  Positive charged surface: 281.293  Negative charged surface: 135.805  Volume: 213.25
  Hydrophobic surface: 299.207  Hydrophilic surface: 117.891
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  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


MMs01393358
ENAMINE-ZINC03357003