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ENAMINE-ZINC03887485

 MMsINC code: MMs01528634
Type: Ionized
Formula: C11H15N2O4-
SMILES:   O=C1N(CC(=O)[O-])C(=O)NC12CCCCC2C
InChI:   InChI=1/C11H16N2O4/c1-7-4-2-3-5-11(7)9(16)13(6-8(14)15)10(17)12-11/h7H,2-6H2,1H3,(H,12,17)(H,14,15)/p-1/t7-,11+/m1/s1

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Potential Energy
Epot(MMFF94)=11.092 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.251 g/mol  logS: -1.96369  SlogP: -0.763  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.159445  Sterimol/B1: 2.411  Sterimol/B2: 3.82466  Sterimol/B3: 4.1517
  Sterimol/B4: 6.19679  Sterimol/L: 12.9862 
 
 Surface and Volume Properties
  Accessible surface: 418.723  Positive charged surface: 262.931  Negative charged surface: 155.792  Volume: 216.25
  Hydrophobic surface: 240.355  Hydrophilic surface: 178.368
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs01528633
ENAMINE-ZINC03887485