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ENAMINE-ZINC02556550

 MMsINC code: MMs01251857
Type: Ionized
Formula: C12H21N2O5-
SMILES:   O(C(C)(C)C)C(=O)NCC(=O)NC(C(C)C)C(=O)[O-]
InChI:   InChI=1/C12H22N2O5/c1-7(2)9(10(16)17)14-8(15)6-13-11(18)19-12(3,4)5/h7,9H,6H2,1-5H3,(H,13,18)(H,14,15)(H,16,17)/p-1/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=23.9926 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.309 g/mol  logS: -1.98117  SlogP: -0.5982  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0639509  Sterimol/B1: 2.00716  Sterimol/B2: 3.40776  Sterimol/B3: 4.89247
  Sterimol/B4: 4.95249  Sterimol/L: 15.7246 
 
 Surface and Volume Properties
  Accessible surface: 532.654  Positive charged surface: 347.594  Negative charged surface: 185.06  Volume: 267.5
  Hydrophobic surface: 286.802  Hydrophilic surface: 245.852
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs01251856
ENAMINE-ZINC02556550