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ENAMINE-ZINC03070615

 MMsINC code: MMs01289611
Type: Neutral
Formula: C15H20N2O4
SMILES:   O(CC(=O)NC1CCCCCC1)c1ccc([N+](=O)[O-])cc1
InChI:   InChI=1/C15H20N2O4/c18-15(16-12-5-3-1-2-4-6-12)11-21-14-9-7-13(8-10-14)17(19)20/h7-10,12H,1-6,11H2,(H,16,18)

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Potential Energy
Epot(MMFF94)=80.5164 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.335 g/mol  logS: -4.38442  SlogP: 2.8126  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0313677  Sterimol/B1: 2.73412  Sterimol/B2: 2.82691  Sterimol/B3: 3.53496
  Sterimol/B4: 4.63177  Sterimol/L: 18.3776 
 
 Surface and Volume Properties
  Accessible surface: 544.078  Positive charged surface: 325.777  Negative charged surface: 218.301  Volume: 275.25
  Hydrophobic surface: 410.126  Hydrophilic surface: 133.952
 
 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.