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CHEMDIV-ZINC03896745

 MMsINC code: MMs00918044
Type: Neutral
Formula: C18H34N2O5
SMILES:   O(C(C)(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(CC)C)C(OC)=O
InChI:   InChI=1/C18H34N2O5/c1-9-12(4)14(16(22)24-8)20-15(21)13(10-11(2)3)19-17(23)25-18(5,6)7/h11-14H,9-10H2,1-8H3,(H,19,23)(H,20,21)/t12-,13+,14-/m0/s1

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Potential Energy
Epot(MMFF94)=72.0425 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.479 g/mol  logS: -4.20769  SlogP: 2.6297  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123612  Sterimol/B1: 2.27419  Sterimol/B2: 2.61387  Sterimol/B3: 6.88395
  Sterimol/B4: 7.83503  Sterimol/L: 17.0096 
 
 Surface and Volume Properties
  Accessible surface: 649.348  Positive charged surface: 468.467  Negative charged surface: 180.881  Volume: 368.5
  Hydrophobic surface: 439.262  Hydrophilic surface: 210.086
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.