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CHEMDIV-ZINC02461804

 MMsINC code: MMs00877459
Type: Neutral
Formula: C23H24N2O3
SMILES:   OC(=O)c1[nH]c2c(cccc2)c1CC(=O)NCC1(CCCC1)c1ccccc1
InChI:   InChI=1/C23H24N2O3/c26-20(14-18-17-10-4-5-11-19(17)25-21(18)22(27)28)24-15-23(12-6-7-13-23)16-8-2-1-3-9-16/h1-5,8-11,25H,6-7,12-15H2,(H,24,26)(H,27,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.1713 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.456 g/mol  logS: -5.16601  SlogP: 4.03677  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.064385  Sterimol/B1: 2.39578  Sterimol/B2: 3.04092  Sterimol/B3: 4.7552
  Sterimol/B4: 8.27851  Sterimol/L: 16.306 
 
 Surface and Volume Properties
  Accessible surface: 636.104  Positive charged surface: 393.703  Negative charged surface: 239.051  Volume: 368.125
  Hydrophobic surface: 504.318  Hydrophilic surface: 131.786
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00877460
CHEMDIV-ZINC02461804