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PUBCHEM-ZINC04725758

 MMsINC code: MMs03163579
Type: Neutral
Formula: C14H25N3O4
SMILES:   O(C(=O)CNC(=O)C(NC(=O)C1NCCC1)CC(C)C)C
InChI:   InChI=1/C14H25N3O4/c1-9(2)7-11(13(19)16-8-12(18)21-3)17-14(20)10-5-4-6-15-10/h9-11,15H,4-8H2,1-3H3,(H,16,19)(H,17,20)/t10-,11-/m1/s1

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Potential Energy
Epot(MMFF94)=76.8067 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.371 g/mol  logS: -2.22259  SlogP: -0.4415  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0592261  Sterimol/B1: 1.969  Sterimol/B2: 3.37115  Sterimol/B3: 4.75893
  Sterimol/B4: 7.04521  Sterimol/L: 17.6613 
 
 Surface and Volume Properties
  Accessible surface: 580.648  Positive charged surface: 450.286  Negative charged surface: 130.362  Volume: 294.25
  Hydrophobic surface: 412.562  Hydrophilic surface: 168.086
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs03163580
PUBCHEM-ZINC04725758