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IBS-ZINC02102451

 MMsINC code: MMs01785359
Type: Neutral
Formula: C15H30N2O3
SMILES:   OC(=O)C(NC(=O)NC(CCCC(C)C)C)CC(C)C
InChI:   InChI=1/C15H30N2O3/c1-10(2)7-6-8-12(5)16-15(20)17-13(14(18)19)9-11(3)4/h10-13H,6-9H2,1-5H3,(H,18,19)(H2,16,17,20)/t12-,13+/m1/s1

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Potential Energy
Epot(MMFF94)=7.57815 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.416 g/mol  logS: -4.07666  SlogP: 2.9997  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.093074  Sterimol/B1: 2.84952  Sterimol/B2: 4.04846  Sterimol/B3: 5.18043
  Sterimol/B4: 6.41775  Sterimol/L: 16.3817 
 
 Surface and Volume Properties
  Accessible surface: 598.12  Positive charged surface: 427.741  Negative charged surface: 170.379  Volume: 306.5
  Hydrophobic surface: 372.189  Hydrophilic surface: 225.931
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  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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Ions/Tautomers related molecules


MMs01785360
IBS-ZINC02102451