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PUBCHEM-ZINC03609594

 MMsINC code: MMs03021457
Type: Neutral
Formula: C24H33NO2
SMILES:   O(C(C(CN(CC)CC)C)C)C(=O)C(C)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C24H33NO2/c1-6-25(7-2)18-19(3)20(4)27-23(26)24(5,21-14-10-8-11-15-21)22-16-12-9-13-17-22/h8-17,19-20H,6-7,18H2,1-5H3/t19-,20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=124.757 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.533 g/mol  logS: -4.95537  SlogP: 4.9022  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104416  Sterimol/B1: 3.6948  Sterimol/B2: 5.16128  Sterimol/B3: 5.54851
  Sterimol/B4: 5.55711  Sterimol/L: 17.3849 
 
 Surface and Volume Properties
  Accessible surface: 653.409  Positive charged surface: 419.206  Negative charged surface: 234.203  Volume: 398.75
  Hydrophobic surface: 555.94  Hydrophilic surface: 97.469
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03021458
PUBCHEM-ZINC03609594