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SIAL-ZINC04763251

 MMsINC code: MMs03924878
Type: Neutral
Formula: C24H23NO5
SMILES:   Oc1ccc(cc1)CC(NC(OCc1ccccc1)=O)C(OCc1ccccc1)=O
InChI:   InChI=1/C24H23NO5/c26-21-13-11-18(12-14-21)15-22(23(27)29-16-19-7-3-1-4-8-19)25-24(28)30-17-20-9-5-2-6-10-20/h1-14,22,26H,15-17H2,(H,25,28)/t22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.3038 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.45 g/mol  logS: -5.25132  SlogP: 4.50587  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0529126  Sterimol/B1: 3.4442  Sterimol/B2: 3.9536  Sterimol/B3: 4.93839
  Sterimol/B4: 7.42864  Sterimol/L: 20.4178 
 
 Surface and Volume Properties
  Accessible surface: 719.566  Positive charged surface: 417.464  Negative charged surface: 302.102  Volume: 389.5
  Hydrophobic surface: 585.129  Hydrophilic surface: 134.437
 
 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.