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PUBCHEM-ZINC04725757

 MMsINC code: MMs03163577
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)=68.509 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: 0.0687743  Sterimol/B1: 1.98251  Sterimol/B2: 3.23951  Sterimol/B3: 4.77308
  Sterimol/B4: 6.33169  Sterimol/L: 17.4712 
 
 Surface and Volume Properties
  Accessible surface: 574.216  Positive charged surface: 439.338  Negative charged surface: 134.878  Volume: 294.125
  Hydrophobic surface: 400.487  Hydrophilic surface: 173.729
 
 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


MMs03163578
PUBCHEM-ZINC04725757