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PUBCHEM-ZINC05633104

 MMsINC code: MMs03330354
Type: Ionized
Formula: C15H26N3O4-
SMILES:   O=C(NC(CC(C)C)C(=O)[O-])CNC(=O)NC1CCCCC1
InChI:   InChI=1/C15H27N3O4/c1-10(2)8-12(14(20)21)18-13(19)9-16-15(22)17-11-6-4-3-5-7-11/h10-12H,3-9H2,1-2H3,(H,18,19)(H,20,21)(H2,16,17,22)/p-1/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=6.57724 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.39 g/mol  logS: -3.06375  SlogP: -0.1009  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0411572  Sterimol/B1: 2.19276  Sterimol/B2: 2.92952  Sterimol/B3: 4.91448
  Sterimol/B4: 6.96096  Sterimol/L: 17.5767 
 
 Surface and Volume Properties
  Accessible surface: 601.86  Positive charged surface: 427.088  Negative charged surface: 174.772  Volume: 310.625
  Hydrophobic surface: 385.56  Hydrophilic surface: 216.3
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  Acid groups: 2  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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MMs03330353
PUBCHEM-ZINC05633104