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IBS-ZINC02105822

 MMsINC code: MMs01786251
Type: Neutral
Formula: C19H27NO6
SMILES:   O1C2C(OC(OC2)(C)C)C(O)C(NC(=O)C)C1OCCc1ccccc1
InChI:   InChI=1/C19H27NO6/c1-12(21)20-15-16(22)17-14(11-24-19(2,3)26-17)25-18(15)23-10-9-13-7-5-4-6-8-13/h4-8,14-18,22H,9-11H2,1-3H3,(H,20,21)/t14-,15+,16+,17+,18-/m1/s1

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Potential Energy
Epot(MMFF94)=91.2645 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.426 g/mol  logS: -2.85665  SlogP: 0.98767  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.166812  Sterimol/B1: 2.30184  Sterimol/B2: 2.46075  Sterimol/B3: 6.96825
  Sterimol/B4: 7.989  Sterimol/L: 16.3053 
 
 Surface and Volume Properties
  Accessible surface: 629.855  Positive charged surface: 430.818  Negative charged surface: 199.037  Volume: 350.75
  Hydrophobic surface: 501.054  Hydrophilic surface: 128.801
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.