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PUBCHEM-ZINC06042805

 MMsINC code: MMs03509443
Type: Neutral
Formula: C15H29NO3
SMILES:   O(C(=O)C(NC(=O)C(CCCC)CC)CC(C)C)C
InChI:   InChI=1/C15H29NO3/c1-6-8-9-12(7-2)14(17)16-13(10-11(3)4)15(18)19-5/h11-13H,6-10H2,1-5H3,(H,16,17)/t12-,13-/m1/s1

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Potential Energy
Epot(MMFF94)=56.9123 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.401 g/mol  logS: -4.20248  SlogP: 2.9067  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0714511  Sterimol/B1: 3.70344  Sterimol/B2: 3.79268  Sterimol/B3: 5.13073
  Sterimol/B4: 5.4401  Sterimol/L: 16.8259 
 
 Surface and Volume Properties
  Accessible surface: 572.515  Positive charged surface: 430.802  Negative charged surface: 141.712  Volume: 295
  Hydrophobic surface: 439.324  Hydrophilic surface: 133.191
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: no related molecules available.