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IBS-ZINC04029014

 MMsINC code: MMs01875735
Type: Neutral
Formula: C19H25NO6
SMILES:   O1C2C(OC1(C)C)C1OC(OC1OC2C(=O)NCc1ccccc1)(C)C
InChI:   InChI=1/C19H25NO6/c1-18(2)23-12-13(24-18)15-17(26-19(3,4)25-15)22-14(12)16(21)20-10-11-8-6-5-7-9-11/h5-9,12-15,17H,10H2,1-4H3,(H,20,21)/t12-,13+,14+,15-,17-/m1/s1

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Potential Energy
Epot(MMFF94)=87.2585 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.41 g/mol  logS: -3.99222  SlogP: 1.9657  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111103  Sterimol/B1: 2.43507  Sterimol/B2: 2.87847  Sterimol/B3: 5.5764
  Sterimol/B4: 8.22983  Sterimol/L: 16.5297 
 
 Surface and Volume Properties
  Accessible surface: 620.315  Positive charged surface: 389.714  Negative charged surface: 230.601  Volume: 340.625
  Hydrophobic surface: 440.124  Hydrophilic surface: 180.191
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.