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CHEMDIV-ZINC03036151

 MMsINC code: MMs00906203
Type: Neutral
Formula: C25H30N2O2
SMILES:   O=C1N(CC(=O)N(CCc2ccccc2)C1c1ccc(cc1)C)C1CCCCC1
InChI:   InChI=1/C25H30N2O2/c1-19-12-14-21(15-13-19)24-25(29)27(22-10-6-3-7-11-22)18-23(28)26(24)17-16-20-8-4-2-5-9-20/h2,4-5,8-9,12-15,22,24H,3,6-7,10-11,16-18H2,1H3/t24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=129.919 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.527 g/mol  logS: -5.41487  SlogP: 4.37779  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113406  Sterimol/B1: 1.969  Sterimol/B2: 4.06403  Sterimol/B3: 4.07173
  Sterimol/B4: 10.9675  Sterimol/L: 17.8952 
 
 Surface and Volume Properties
  Accessible surface: 686.396  Positive charged surface: 447.763  Negative charged surface: 238.633  Volume: 403.375
  Hydrophobic surface: 640.22  Hydrophilic surface: 46.176
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.