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ENAMINE-ZINC03311824

 MMsINC code: MMs01364428
Type: Neutral
Formula: C24H27NO2
SMILES:   O(CC(O)CNCCC(c1ccccc1)c1ccccc1)c1ccccc1
InChI:   InChI=1/C24H27NO2/c26-22(19-27-23-14-8-3-9-15-23)18-25-17-16-24(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,22,24-26H,16-19H2/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=104.908 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.485 g/mol  logS: -4.67326  SlogP: 4.2381  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0544495  Sterimol/B1: 2.4764  Sterimol/B2: 3.38892  Sterimol/B3: 4.8989
  Sterimol/B4: 8.18862  Sterimol/L: 20.7277 
 
 Surface and Volume Properties
  Accessible surface: 710.958  Positive charged surface: 436.599  Negative charged surface: 274.359  Volume: 382
  Hydrophobic surface: 647.763  Hydrophilic surface: 63.195
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs01364429
ENAMINE-ZINC03311824