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NCID-ZINC01724405

 MMsINC code: MMs02348418
Type: Neutral
Formula: C27H25NO
SMILES:   O=C(CCN(Cc1ccccc1)Cc1ccccc1)c1cc2c(cc1)cccc2
InChI:   InChI=1/C27H25NO/c29-27(26-16-15-24-13-7-8-14-25(24)19-26)17-18-28(20-22-9-3-1-4-10-22)21-23-11-5-2-6-12-23/h1-16,19H,17-18,20-21H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=122.459 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.503 g/mol  logS: -6.88328  SlogP: 6.6478  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0619386  Sterimol/B1: 2.54661  Sterimol/B2: 3.58615  Sterimol/B3: 3.97663
  Sterimol/B4: 10.2548  Sterimol/L: 19.0095 
 
 Surface and Volume Properties
  Accessible surface: 669.11  Positive charged surface: 373.851  Negative charged surface: 285.868  Volume: 395.25
  Hydrophobic surface: 624.931  Hydrophilic surface: 44.179
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02348419
NCID-ZINC01724405