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PUBCHEM-ZINC02043391

 MMsINC code: MMs02864031
Type: Neutral
Formula: C14H27N3O3
SMILES:   O=C(NC(CC(C)C)C=O)C(NC(=O)CN)C(CC)C
InChI:   InChI=1/C14H27N3O3/c1-5-10(4)13(17-12(19)7-15)14(20)16-11(8-18)6-9(2)3/h8-11,13H,5-7,15H2,1-4H3,(H,16,20)(H,17,19)/t10-,11-,13-/m0/s1

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Potential Energy
Epot(MMFF94)=79.8979 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.388 g/mol  logS: -2.46498  SlogP: 0.2058  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.197829  Sterimol/B1: 2.05803  Sterimol/B2: 3.09695  Sterimol/B3: 6.46454
  Sterimol/B4: 6.7132  Sterimol/L: 14.5648 
 
 Surface and Volume Properties
  Accessible surface: 545.072  Positive charged surface: 389.176  Negative charged surface: 155.896  Volume: 293.125
  Hydrophobic surface: 306.15  Hydrophilic surface: 238.922
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs02864032
PUBCHEM-ZINC02043391