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ENAMINE-ZINC05109981

 MMsINC code: MMs01587154
Type: Neutral
Formula: C15H18N2O5
SMILES:   O(C(=O)c1ccc([N+](=O)[O-])cc1)C(C(=O)NC1CCCC1)C
InChI:   InChI=1/C15H18N2O5/c1-10(14(18)16-12-4-2-3-5-12)22-15(19)11-6-8-13(9-7-11)17(20)21/h6-10,12H,2-5H2,1H3,(H,16,18)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=72.0789 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.318 g/mol  logS: -4.01254  SlogP: 2.1989  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0562239  Sterimol/B1: 2.20413  Sterimol/B2: 2.53434  Sterimol/B3: 4.44377
  Sterimol/B4: 6.35686  Sterimol/L: 18.1757 
 
 Surface and Volume Properties
  Accessible surface: 566.127  Positive charged surface: 315.188  Negative charged surface: 250.94  Volume: 283.125
  Hydrophobic surface: 397.158  Hydrophilic surface: 168.969
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.