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IBS-ZINC02434648

 MMsINC code: MMs01863082
Type: Neutral
Formula: C12H24N2O4
SMILES:   O(CCCNC(=O)NC(CC(C)C)C(O)=O)CC
InChI:   InChI=1/C12H24N2O4/c1-4-18-7-5-6-13-12(17)14-10(11(15)16)8-9(2)3/h9-10H,4-8H2,1-3H3,(H,15,16)(H2,13,14,17)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=1.30156 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.334 g/mol  logS: -1.83121  SlogP: 1.2115  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0454856  Sterimol/B1: 2.76769  Sterimol/B2: 3.86933  Sterimol/B3: 3.97349
  Sterimol/B4: 6.12911  Sterimol/L: 17.7314 
 
 Surface and Volume Properties
  Accessible surface: 559.329  Positive charged surface: 413.426  Negative charged surface: 145.903  Volume: 265.625
  Hydrophobic surface: 346.25  Hydrophilic surface: 213.079
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  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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Ions/Tautomers related molecules


MMs01863083
IBS-ZINC02434648