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CHEMBRIDGE-ZINC00724971

 MMsINC code: MMs00642389
Type: Neutral
Formula: C19H24N2O5
SMILES:   O1C(CN(CC1C)C1CC(=O)N(C1=O)c1ccc(cc1)C(OCC)=O)C
InChI:   InChI=1/C19H24N2O5/c1-4-25-19(24)14-5-7-15(8-6-14)21-17(22)9-16(18(21)23)20-10-12(2)26-13(3)11-20/h5-8,12-13,16H,4,9-11H2,1-3H3/t12-,13-,16+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=110.534 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.41 g/mol  logS: -3.45178  SlogP: 1.6044  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0357172  Sterimol/B1: 3.46121  Sterimol/B2: 3.57486  Sterimol/B3: 4.27315
  Sterimol/B4: 5.11391  Sterimol/L: 20.2776 
 
 Surface and Volume Properties
  Accessible surface: 633.584  Positive charged surface: 422.871  Negative charged surface: 210.713  Volume: 343
  Hydrophobic surface: 452.665  Hydrophilic surface: 180.919
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.