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CHEMDIV-ZINC03895765

 MMsINC code: MMs00917583
Type: Neutral
Formula: C17H30N2O4
SMILES:   O(C(=O)CNC(=O)C(NC(=O)C1CCCCC1)CC(C)C)CC
InChI:   InChI=1/C17H30N2O4/c1-4-23-15(20)11-18-17(22)14(10-12(2)3)19-16(21)13-8-6-5-7-9-13/h12-14H,4-11H2,1-3H3,(H,18,22)(H,19,21)/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=60.6139 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.437 g/mol  logS: -4.085  SlogP: 1.7769  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0555329  Sterimol/B1: 2.65313  Sterimol/B2: 3.52962  Sterimol/B3: 3.91623
  Sterimol/B4: 7.67803  Sterimol/L: 19.2715 
 
 Surface and Volume Properties
  Accessible surface: 626.69  Positive charged surface: 463.605  Negative charged surface: 163.085  Volume: 332.625
  Hydrophobic surface: 465.43  Hydrophilic surface: 161.26
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.