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ASINEX-ZINC00276476

 MMsINC code: MMs00106135
Type: Neutral
Formula: C14H23NO3
SMILES:   OC(=O)C1CCCCC1C(=O)NC1CCCCC1
InChI:   InChI=1/C14H23NO3/c16-13(15-10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(17)18/h10-12H,1-9H2,(H,15,16)(H,17,18)/t11-,12+/m1/s1

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Potential Energy
Epot(MMFF94)=19.6179 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.342 g/mol  logS: -2.32587  SlogP: 2.3263  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105982  Sterimol/B1: 3.36757  Sterimol/B2: 3.68335  Sterimol/B3: 4.78219
  Sterimol/B4: 5.11067  Sterimol/L: 13.0261 
 
 Surface and Volume Properties
  Accessible surface: 472.513  Positive charged surface: 361  Negative charged surface: 111.512  Volume: 254.375
  Hydrophobic surface: 376.084  Hydrophilic surface: 96.429
 
 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


MMs00106136
ASINEX-ZINC00276476