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ENAMINE-ZINC02644001

 MMsINC code: MMs01270792
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)=11.6928 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: 0.222031  Sterimol/B1: 2.16361  Sterimol/B2: 3.08199  Sterimol/B3: 4.21058
  Sterimol/B4: 6.71313  Sterimol/L: 12.0241 
 
 Surface and Volume Properties
  Accessible surface: 421.063  Positive charged surface: 266.623  Negative charged surface: 154.44  Volume: 217.375
  Hydrophobic surface: 241.067  Hydrophilic surface: 179.996
 
 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:


MMs01270791
ENAMINE-ZINC02644001