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NCID-ZINC01710591

 MMsINC code: MMs02337823
Type: Neutral
Formula: C26H37NO2
SMILES:   O(C(CNC(CC(C)C)CC(C)C)C)C(=O)C(c1ccccc1)c1ccccc1
InChI:   InChI=1/C26H37NO2/c1-19(2)16-24(17-20(3)4)27-18-21(5)29-26(28)25(22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,19-21,24-25,27H,16-18H2,1-5H3/t21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=107.875 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.587 g/mol  logS: -6.68353  SlogP: 5.8006  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.152967  Sterimol/B1: 3.85246  Sterimol/B2: 4.2215  Sterimol/B3: 5.83197
  Sterimol/B4: 8.13642  Sterimol/L: 15.9687 
 
 Surface and Volume Properties
  Accessible surface: 764.373  Positive charged surface: 493.223  Negative charged surface: 271.149  Volume: 435.25
  Hydrophobic surface: 644.054  Hydrophilic surface: 120.319
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs02337824
NCID-ZINC01710591