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CHEMBRIDGE-ZINC02177937

 MMsINC code: MMs00703471
Type: Neutral
Formula: C27H25NO
SMILES:   O(Cc1ccccc1)c1ccc(cc1)CNC(c1ccccc1)c1ccccc1
InChI:   InChI=1/C27H25NO/c1-4-10-23(11-5-1)21-29-26-18-16-22(17-19-26)20-28-27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19,27-28H,20-21H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=106.201 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.503 g/mol  logS: -6.47946  SlogP: 6.7731  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0646853  Sterimol/B1: 3.52556  Sterimol/B2: 4.62222  Sterimol/B3: 5.71446
  Sterimol/B4: 5.97258  Sterimol/L: 19.4323 
 
 Surface and Volume Properties
  Accessible surface: 721.629  Positive charged surface: 407.003  Negative charged surface: 314.626  Volume: 403.375
  Hydrophobic surface: 702.335  Hydrophilic surface: 19.294
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00703472
CHEMBRIDGE-ZINC02177937