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CHEMDIV-ZINC03895917

 MMsINC code: MMs00917672
Type: Neutral
Formula: C19H36N2O3
SMILES:   O(CCCNC(=O)C(NC(=O)C1CCC(CC1)C)C(CC)C)CC
InChI:   InChI=1/C19H36N2O3/c1-5-15(4)17(19(23)20-12-7-13-24-6-2)21-18(22)16-10-8-14(3)9-11-16/h14-17H,5-13H2,1-4H3,(H,20,23)(H,21,22)/t14-,15-,16+,17+/m0/s1

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Potential Energy
Epot(MMFF94)=60.2358 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.508 g/mol  logS: -4.22301  SlogP: 2.8864  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0848897  Sterimol/B1: 2.09479  Sterimol/B2: 3.26133  Sterimol/B3: 6.25501
  Sterimol/B4: 8.33876  Sterimol/L: 19.0196 
 
 Surface and Volume Properties
  Accessible surface: 670.39  Positive charged surface: 524.374  Negative charged surface: 146.016  Volume: 366
  Hydrophobic surface: 544.451  Hydrophilic surface: 125.939
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.