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CHEMDIV-ZINC05674496

MMsINC code: MMs00997143

Type: Neutral
Formula: C23H24N2O3
SMILES:   O=C1N(C(=O)C2C1CCCC2)c1ccc(cc1)C(=O)Nc1ccccc1CC
InChI:   InChI=1/C23H24N2O3/c1-2-15-7-3-6-10-20(15)24-21(26)16-11-13-17(14-12-16)25-22(27)18-8-4-5-9-19(18)23(25)28/h3,6-7,10-14,18-19H,2,4-5,8-9H2,1H3,(H,24,26)/t18-,19+

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=97.2767 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.456 g/mol  logS: -5.75859  SlogP: 4.18087  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.031479  Sterimol/B1: 2.44102  Sterimol/B2: 3.16934  Sterimol/B3: 4.2299
  Sterimol/B4: 7.40159  Sterimol/L: 19.1978 
 
 Surface and Volume Properties
  Accessible surface: 633.382  Positive charged surface: 391.349  Negative charged surface: 242.033  Volume: 366
  Hydrophobic surface: 532.39  Hydrophilic surface: 100.992
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.