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CHEMDIV-ZINC03895639

 MMsINC code: MMs00917503
Type: Neutral
Formula: C19H34N2O4
SMILES:   O(C(=O)C(NC(=O)C(NC(=O)C1CCC(CC1)CC)C(C)C)C)CC
InChI:   InChI=1/C19H34N2O4/c1-6-14-8-10-15(11-9-14)17(22)21-16(12(3)4)18(23)20-13(5)19(24)25-7-2/h12-16H,6-11H2,1-5H3,(H,20,23)(H,21,22)/t13-,14-,15-,16-/m1/s1

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Potential Energy
Epot(MMFF94)=60.8051 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.491 g/mol  logS: -4.61398  SlogP: 2.4114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0384279  Sterimol/B1: 1.969  Sterimol/B2: 3.4674  Sterimol/B3: 3.6035
  Sterimol/B4: 8.74106  Sterimol/L: 20.8202 
 
 Surface and Volume Properties
  Accessible surface: 678.329  Positive charged surface: 495.289  Negative charged surface: 183.04  Volume: 369.5
  Hydrophobic surface: 495.809  Hydrophilic surface: 182.52
 
 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.