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ASINEX-ZINC00377622

 MMsINC code: MMs00126493
Type: Neutral
Formula: C15H23NO3
SMILES:   OC(=O)C1CC=C(CC1C(=O)NC1CCCCC1)C
InChI:   InChI=1/C15H23NO3/c1-10-7-8-12(15(18)19)13(9-10)14(17)16-11-5-3-2-4-6-11/h7,11-13H,2-6,8-9H2,1H3,(H,16,17)(H,18,19)/t12-,13+/m0/s1

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Potential Energy
Epot(MMFF94)=16.5991 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.353 g/mol  logS: -1.49195  SlogP: 2.4924  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.155287  Sterimol/B1: 2.35701  Sterimol/B2: 3.37491  Sterimol/B3: 4.17009
  Sterimol/B4: 8.05889  Sterimol/L: 13.5903 
 
 Surface and Volume Properties
  Accessible surface: 495.082  Positive charged surface: 369  Negative charged surface: 126.081  Volume: 267.5
  Hydrophobic surface: 390.188  Hydrophilic surface: 104.894
 
 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


MMs00126494
ASINEX-ZINC00377622