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ASINEX-ZINC00269410

 MMsINC code: MMs00104118
Type: Neutral
Formula: C17H30N2O3
SMILES:   OC(=O)C1CCCCC1C(=O)NC1CC(NC(C1)(C)C)(C)C
InChI:   InChI=1/C17H30N2O3/c1-16(2)9-11(10-17(3,4)19-16)18-14(20)12-7-5-6-8-13(12)15(21)22/h11-13,19H,5-10H2,1-4H3,(H,18,20)(H,21,22)/t12-,13+/m0/s1

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Potential Energy
Epot(MMFF94)=34.4326 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.438 g/mol  logS: -2.48289  SlogP: 2.3028  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128675  Sterimol/B1: 1.97159  Sterimol/B2: 3.17276  Sterimol/B3: 5.14362
  Sterimol/B4: 6.79665  Sterimol/L: 13.3886 
 
 Surface and Volume Properties
  Accessible surface: 554.12  Positive charged surface: 408.992  Negative charged surface: 145.128  Volume: 318.125
  Hydrophobic surface: 381.933  Hydrophilic surface: 172.187
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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: no related molecules available.