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NCID-ZINC05732352

 MMsINC code: MMs02491452
Type: Neutral
Formula: C24H24N2O2
SMILES:   O=C1N(C(=O)C2C1CC(c1c2[nH]c2c1cccc2)CC(C)C)c1ccccc1
InChI:   InChI=1/C24H24N2O2/c1-14(2)12-15-13-18-21(22-20(15)17-10-6-7-11-19(17)25-22)24(28)26(23(18)27)16-8-4-3-5-9-16/h3-11,14-15,18,21,25H,12-13H2,1-2H3/t15-,18+,21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.875 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.468 g/mol  logS: -6.36688  SlogP: 4.9745  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0683808  Sterimol/B1: 2.39566  Sterimol/B2: 2.57019  Sterimol/B3: 5.01321
  Sterimol/B4: 8.11119  Sterimol/L: 16.6922 
 
 Surface and Volume Properties
  Accessible surface: 609.155  Positive charged surface: 358.364  Negative charged surface: 248.515  Volume: 363
  Hydrophobic surface: 496.169  Hydrophilic surface: 112.986
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.