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NANOSIN-ZINC01571145

 MMsINC code: MMs02199007
Type: Neutral
Formula: C15H23NO6
SMILES:   OC(C(O)C(O)CO)C(O)C(=O)NC(Cc1ccccc1)C
InChI:   InChI=1/C15H23NO6/c1-9(7-10-5-3-2-4-6-10)16-15(22)14(21)13(20)12(19)11(18)8-17/h2-6,9,11-14,17-21H,7-8H2,1H3,(H,16,22)/t9-,11-,12-,13-,14+/m1/s1

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Potential Energy
Epot(MMFF94)=101.73 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.35 g/mol  logS: -0.90699  SlogP: -1.83033  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0885237  Sterimol/B1: 2.14415  Sterimol/B2: 2.96683  Sterimol/B3: 4.94705
  Sterimol/B4: 8.07592  Sterimol/L: 16.3782 
 
 Surface and Volume Properties
  Accessible surface: 557.682  Positive charged surface: 360.606  Negative charged surface: 197.076  Volume: 298.25
  Hydrophobic surface: 331.526  Hydrophilic surface: 226.156
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.