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NCID-ZINC05104967

 MMsINC code: MMs02441258
Type: Neutral
Formula: C18H24N2O7
SMILES:   O1C(C)C(NC(=O)C(NC(=O)C)C)C2C(=C(OC)C=CC2OC(=O)C)C1=O
InChI:   InChI=1/C18H24N2O7/c1-8(19-10(3)21)17(23)20-16-9(2)26-18(24)15-12(25-5)6-7-13(14(15)16)27-11(4)22/h6-9,13-14,16H,1-5H3,(H,19,21)(H,20,23)/t8-,9-,13-,14-,16+/m1/s1

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Potential Energy
Epot(MMFF94)=94.3092 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.397 g/mol  logS: -2.58296  SlogP: -0.0407  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.217248  Sterimol/B1: 2.48462  Sterimol/B2: 3.81412  Sterimol/B3: 5.34009
  Sterimol/B4: 9.0613  Sterimol/L: 14.732 
 
 Surface and Volume Properties
  Accessible surface: 575.171  Positive charged surface: 373.243  Negative charged surface: 201.927  Volume: 343.625
  Hydrophobic surface: 393.218  Hydrophilic surface: 181.953
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.