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CHEMDIV-ZINC02078880

 MMsINC code: MMs00870388
Type: Neutral
Formula: C23H24N2O3
SMILES:   O=C1N(C(=O)C2C1CC(CC2)C)c1cc(ccc1)C(=O)Nc1ccccc1C
InChI:   InChI=1/C23H24N2O3/c1-14-10-11-18-19(12-14)23(28)25(22(18)27)17-8-5-7-16(13-17)21(26)24-20-9-4-3-6-15(20)2/h3-9,13-14,18-19H,10-12H2,1-2H3,(H,24,26)/t14-,18+,19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=103.146 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.456 g/mol  logS: -5.75859  SlogP: 4.17292  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0533245  Sterimol/B1: 2.82322  Sterimol/B2: 4.30023  Sterimol/B3: 5.405
  Sterimol/B4: 5.89492  Sterimol/L: 18.4956 
 
 Surface and Volume Properties
  Accessible surface: 636.248  Positive charged surface: 387.885  Negative charged surface: 248.363  Volume: 363.25
  Hydrophobic surface: 532.177  Hydrophilic surface: 104.071
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1
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Ions/Tautomers related molecules: no related molecules available.