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OTAVA-ZINC01931430

 MMsINC code: MMs02568862
Type: Neutral
Formula: C24H22N2O5
SMILES:   O(c1ccc(NC(=O)C(OC(=O)CNC(=O)c2ccccc2)C)cc1)c1ccccc1
InChI:   InChI=1/C24H22N2O5/c1-17(30-22(27)16-25-24(29)18-8-4-2-5-9-18)23(28)26-19-12-14-21(15-13-19)31-20-10-6-3-7-11-20/h2-15,17H,16H2,1H3,(H,25,29)(H,26,28)/t17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=124.57 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.449 g/mol  logS: -6.04553  SlogP: 3.7791  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0230553  Sterimol/B1: 2.21492  Sterimol/B2: 2.86776  Sterimol/B3: 5.29343
  Sterimol/B4: 6.99067  Sterimol/L: 24.2597 
 
 Surface and Volume Properties
  Accessible surface: 745.529  Positive charged surface: 420.3  Negative charged surface: 325.229  Volume: 397.75
  Hydrophobic surface: 605.948  Hydrophilic surface: 139.581
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.