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CHEMDIV-ZINC02912861

 MMsINC code: MMs00889709
Type: Neutral
Formula: C25H30N2O2
SMILES:   O=C1N(Cc2ccc(cc2)C)C(c2c1cccc2)C(=O)NC1CCCCCCC1
InChI:   InChI=1/C25H30N2O2/c1-18-13-15-19(16-14-18)17-27-23(21-11-7-8-12-22(21)25(27)29)24(28)26-20-9-5-3-2-4-6-10-20/h7-8,11-16,20,23H,2-6,9-10,17H2,1H3,(H,26,28)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=144.575 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.527 g/mol  logS: -6.46339  SlogP: 5.28312  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105401  Sterimol/B1: 2.403  Sterimol/B2: 2.83312  Sterimol/B3: 5.17121
  Sterimol/B4: 10.1444  Sterimol/L: 17.051 
 
 Surface and Volume Properties
  Accessible surface: 683.427  Positive charged surface: 434.989  Negative charged surface: 248.439  Volume: 398.75
  Hydrophobic surface: 625.789  Hydrophilic surface: 57.638
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.