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CHEMSTAR-ZINC04017018

 MMsINC code: MMs01087843
Type: Neutral
Formula: C18H34N2O5
SMILES:   O(C(C)(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(OC)=O
InChI:   InChI=1/C18H34N2O5/c1-11(2)9-13(20-17(23)25-18(5,6)7)15(21)19-14(10-12(3)4)16(22)24-8/h11-14H,9-10H2,1-8H3,(H,19,21)(H,20,23)/t13-,14+/m0/s1

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Potential Energy
Epot(MMFF94)=81.151 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.479 g/mol  logS: -4.52114  SlogP: 2.6297  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.208965  Sterimol/B1: 2.7757  Sterimol/B2: 4.65166  Sterimol/B3: 6.49563
  Sterimol/B4: 7.42431  Sterimol/L: 16.8719 
 
 Surface and Volume Properties
  Accessible surface: 661.733  Positive charged surface: 485.526  Negative charged surface: 176.207  Volume: 367
  Hydrophobic surface: 452.109  Hydrophilic surface: 209.624
 
 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.