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ENAMINE-ZINC03484544

 MMsINC code: MMs01467744
Type: Neutral
Formula: C25H25NO4
SMILES:   Oc1ccc(cc1)-c1ccc(cc1)C(OCC(=O)NC(CCc1ccccc1)C)=O
InChI:   InChI=1/C25H25NO4/c1-18(7-8-19-5-3-2-4-6-19)26-24(28)17-30-25(29)22-11-9-20(10-12-22)21-13-15-23(27)16-14-21/h2-6,9-16,18,27H,7-8,17H2,1H3,(H,26,28)/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.759 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.478 g/mol  logS: -6.36196  SlogP: 4.35347  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0366759  Sterimol/B1: 2.32495  Sterimol/B2: 2.36856  Sterimol/B3: 6.04961
  Sterimol/B4: 6.93933  Sterimol/L: 24.5084 
 
 Surface and Volume Properties
  Accessible surface: 740.894  Positive charged surface: 421.429  Negative charged surface: 307.759  Volume: 401
  Hydrophobic surface: 592.581  Hydrophilic surface: 148.313
 
 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.