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CHEMBRIDGE-ZINC01095035

 MMsINC code: MMs00660171
Type: Neutral
Formula: C25H24N2O3
SMILES:   O1CCCC1CNC(=O)c1ccccc1C(=O)N(c1ccccc1)c1ccccc1
InChI:   InChI=1/C25H24N2O3/c28-24(26-18-21-14-9-17-30-21)22-15-7-8-16-23(22)25(29)27(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-8,10-13,15-16,21H,9,14,17-18H2,(H,26,28)/t21-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=161.538 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.478 g/mol  logS: -5.91389  SlogP: 4.5739  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0910232  Sterimol/B1: 2.45716  Sterimol/B2: 3.79471  Sterimol/B3: 5.74828
  Sterimol/B4: 9.38777  Sterimol/L: 16.7627 
 
 Surface and Volume Properties
  Accessible surface: 674.766  Positive charged surface: 436.23  Negative charged surface: 238.536  Volume: 393.75
  Hydrophobic surface: 625.077  Hydrophilic surface: 49.689
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.