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PUBCHEM-ZINC05633415

 MMsINC code: MMs03330505
Type: Neutral
Formula: C14H25N3O4
SMILES:   OC(=O)C(NC(=O)CNC(=O)NC1CCCCC1)C(C)C
InChI:   InChI=1/C14H25N3O4/c1-9(2)12(13(19)20)17-11(18)8-15-14(21)16-10-6-4-3-5-7-10/h9-10,12H,3-8H2,1-2H3,(H,17,18)(H,19,20)(H2,15,16,21)/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=20.8311 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.371 g/mol  logS: -1.97463  SlogP: 0.8437  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0398047  Sterimol/B1: 2.02211  Sterimol/B2: 3.02432  Sterimol/B3: 3.75531
  Sterimol/B4: 6.52478  Sterimol/L: 18.633 
 
 Surface and Volume Properties
  Accessible surface: 578.19  Positive charged surface: 423.82  Negative charged surface: 154.37  Volume: 292.5
  Hydrophobic surface: 354.401  Hydrophilic surface: 223.789
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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


MMs03330506
PUBCHEM-ZINC05633415