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AURORAFEINCHEMIE-ZINC04672157

 MMsINC code: MMs00470239
Type: Neutral
Formula: C24H30N2O2
SMILES:   O=C(N1c2c(cccc2)C(N(C(=O)C)c2ccccc2)CC1C)CCCCC
InChI:   InChI=1/C24H30N2O2/c1-4-5-7-16-24(28)25-18(2)17-23(21-14-10-11-15-22(21)25)26(19(3)27)20-12-8-6-9-13-20/h6,8-15,18,23H,4-5,7,16-17H2,1-3H3/t18-,23+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=225.055 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.516 g/mol  logS: -5.78495  SlogP: 5.5818  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.052119  Sterimol/B1: 3.01886  Sterimol/B2: 4.15123  Sterimol/B3: 4.62768
  Sterimol/B4: 7.49024  Sterimol/L: 19.6473 
 
 Surface and Volume Properties
  Accessible surface: 655.891  Positive charged surface: 413.604  Negative charged surface: 242.286  Volume: 385.875
  Hydrophobic surface: 566.246  Hydrophilic surface: 89.645
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.