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NCID-ZINC01613378

 MMsINC code: MMs02263526
Type: Neutral
Formula: C19H18N2O5
SMILES:   O(C)c1ccc(cc1)C(Cc1ccccc1)C1(O)C(=O)NC(=O)NC1=O
InChI:   InChI=1/C19H18N2O5/c1-26-14-9-7-13(8-10-14)15(11-12-5-3-2-4-6-12)19(25)16(22)20-18(24)21-17(19)23/h2-10,15,25H,11H2,1H3,(H2,20,21,22,23,24)/t15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.5476 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.362 g/mol  logS: -3.90893  SlogP: 1.11857  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146924  Sterimol/B1: 2.57935  Sterimol/B2: 3.2217  Sterimol/B3: 5.64071
  Sterimol/B4: 6.5374  Sterimol/L: 16.2503 
 
 Surface and Volume Properties
  Accessible surface: 545.816  Positive charged surface: 334.682  Negative charged surface: 211.134  Volume: 315.75
  Hydrophobic surface: 369.862  Hydrophilic surface: 175.954
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.