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PEAKDALE-ZINC01498877

 MMsINC code: MMs02611090
Type: Neutral
Formula: C15H25NO3
SMILES:   OC(=O)CC1(CCCC1)CC(=O)NC1CCCCC1
InChI:   InChI=1/C15H25NO3/c17-13(16-12-6-2-1-3-7-12)10-15(11-14(18)19)8-4-5-9-15/h12H,1-11H2,(H,16,17)(H,18,19)

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Potential Energy
Epot(MMFF94)=39.9095 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.369 g/mol  logS: -3.15454  SlogP: 2.8605  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0817945  Sterimol/B1: 3.13947  Sterimol/B2: 3.44536  Sterimol/B3: 3.7881
  Sterimol/B4: 6.16688  Sterimol/L: 14.6189 
 
 Surface and Volume Properties
  Accessible surface: 507.96  Positive charged surface: 386.882  Negative charged surface: 121.078  Volume: 271.25
  Hydrophobic surface: 402.153  Hydrophilic surface: 105.807
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02611091
PEAKDALE-ZINC01498877