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PUBCHEM-ZINC00483081

 MMsINC code: MMs02690818
Type: Neutral
Formula: C15H25NO3
SMILES:   OC(=O)C1CCCCC1C(=O)NC1CCCCCC1
InChI:   InChI=1/C15H25NO3/c17-14(16-11-7-3-1-2-4-8-11)12-9-5-6-10-13(12)15(18)19/h11-13H,1-10H2,(H,16,17)(H,18,19)/t12-,13-/m1/s1

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Potential Energy
Epot(MMFF94)=29.2778 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.369 g/mol  logS: -2.84109  SlogP: 2.7164  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0622306  Sterimol/B1: 2.41386  Sterimol/B2: 3.97516  Sterimol/B3: 4.55098
  Sterimol/B4: 5.30116  Sterimol/L: 14.5856 
 
 Surface and Volume Properties
  Accessible surface: 496.474  Positive charged surface: 375.892  Negative charged surface: 120.582  Volume: 270
  Hydrophobic surface: 395.981  Hydrophilic surface: 100.493
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs02690819
PUBCHEM-ZINC00483081