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ASINEX-ZINC00301799

 MMsINC code: MMs00114017
Type: Neutral
Formula: C14H21NO3
SMILES:   OC(=O)C1CC=CCC1C(=O)NC1CCCCC1
InChI:   InChI=1/C14H21NO3/c16-13(15-10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(17)18/h4-5,10-12H,1-3,6-9H2,(H,15,16)(H,17,18)/t11-,12-/m1/s1

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Potential Energy
Epot(MMFF94)=16.6206 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.326 g/mol  logS: -1.16155  SlogP: 2.1023  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0536634  Sterimol/B1: 2.8983  Sterimol/B2: 3.39621  Sterimol/B3: 4.71351
  Sterimol/B4: 5.12526  Sterimol/L: 14.3065 
 
 Surface and Volume Properties
  Accessible surface: 477.664  Positive charged surface: 348.834  Negative charged surface: 128.829  Volume: 249.875
  Hydrophobic surface: 345.138  Hydrophilic surface: 132.526
 
 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


MMs00114018
ASINEX-ZINC00301799