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CHEMBRIDGE-ZINC04857782

 MMsINC code: MMs00804085
Type: Neutral
Formula: C23H25NO2
SMILES:   O(Cc1ccccc1)c1ccc(cc1)CNC(C(O)c1ccccc1)C
InChI:   InChI=1/C23H25NO2/c1-18(23(25)21-10-6-3-7-11-21)24-16-19-12-14-22(15-13-19)26-17-20-8-4-2-5-9-20/h2-15,18,23-25H,16-17H2,1H3/t18-,23+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.408 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.458 g/mol  logS: -4.83623  SlogP: 5.1056  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0581647  Sterimol/B1: 2.13515  Sterimol/B2: 3.55351  Sterimol/B3: 3.91691
  Sterimol/B4: 8.95073  Sterimol/L: 18.577 
 
 Surface and Volume Properties
  Accessible surface: 652.818  Positive charged surface: 392.767  Negative charged surface: 260.051  Volume: 364.375
  Hydrophobic surface: 580.609  Hydrophilic surface: 72.209
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs00804086
CHEMBRIDGE-ZINC04857782