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IBS-ZINC02444340

 MMsINC code: MMs01866570
Type: Neutral
Formula: C13H22N2O5
SMILES:   O(C(C)(C)C)C(=O)NCC(=O)N1CCC(CC1)C(O)=O
InChI:   InChI=1/C13H22N2O5/c1-13(2,3)20-12(19)14-8-10(16)15-6-4-9(5-7-15)11(17)18/h9H,4-8H2,1-3H3,(H,14,19)(H,17,18)

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Potential Energy
Epot(MMFF94)=26.2502 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.328 g/mol  logS: -1.19284  SlogP: 0.8343  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0516184  Sterimol/B1: 2.28394  Sterimol/B2: 3.40538  Sterimol/B3: 4.59009
  Sterimol/B4: 4.83074  Sterimol/L: 16.9557 
 
 Surface and Volume Properties
  Accessible surface: 535.387  Positive charged surface: 380.815  Negative charged surface: 154.572  Volume: 269.25
  Hydrophobic surface: 308.906  Hydrophilic surface: 226.481
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs01866571
IBS-ZINC02444340