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AURORAFEINCHEMIE-ZINC05418970

 MMsINC code: MMs00475147
Type: Neutral
Formula: C19H34N2O5
SMILES:   O(C(C)(C)C)C(=O)NC(CC(C)C)C(=O)NCC1CCC(CC1)C(O)=O
InChI:   InChI=1/C19H34N2O5/c1-12(2)10-15(21-18(25)26-19(3,4)5)16(22)20-11-13-6-8-14(9-7-13)17(23)24/h12-15H,6-11H2,1-5H3,(H,20,22)(H,21,25)(H,23,24)/t13-,14-,15-/m0/s1

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Potential Energy
Epot(MMFF94)=51.8371 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.49 g/mol  logS: -3.33812  SlogP: 2.933  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0715602  Sterimol/B1: 2.06937  Sterimol/B2: 2.74644  Sterimol/B3: 5.25753
  Sterimol/B4: 7.87717  Sterimol/L: 19.4387 
 
 Surface and Volume Properties
  Accessible surface: 676.349  Positive charged surface: 486.033  Negative charged surface: 190.316  Volume: 373.625
  Hydrophobic surface: 430.44  Hydrophilic surface: 245.909
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs00475148
AURORAFEINCHEMIE-ZINC05418970