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PUBCHEM-ZINC06031099

 MMsINC code: MMs03503626
Type: Neutral
Formula: C15H25NO3
SMILES:   O(C(=O)C1NC(=O)CC1)C1CC(CCC1C(C)C)C
InChI:   InChI=1/C15H25NO3/c1-9(2)11-5-4-10(3)8-13(11)19-15(18)12-6-7-14(17)16-12/h9-13H,4-8H2,1-3H3,(H,16,17)/t10-,11+,12+,13-/m1/s1

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Potential Energy
Epot(MMFF94)=52.2093 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.369 g/mol  logS: -3.62238  SlogP: 2.269  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11538  Sterimol/B1: 2.06389  Sterimol/B2: 3.07705  Sterimol/B3: 3.76244
  Sterimol/B4: 9.06756  Sterimol/L: 13.6677 
 
 Surface and Volume Properties
  Accessible surface: 518.527  Positive charged surface: 367.566  Negative charged surface: 150.961  Volume: 274.875
  Hydrophobic surface: 354.429  Hydrophilic surface: 164.098
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.