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AURORAFEINCHEMIE-ZINC06666679

 MMsINC code: MMs00479064
Type: Neutral
Formula: C24H25NO2
SMILES:   OC=1C=2CCC(CC=2N(C(=O)C=1c1ccccc1)c1ccc(cc1)C)(C)C
InChI:   InChI=1/C24H25NO2/c1-16-9-11-18(12-10-16)25-20-15-24(2,3)14-13-19(20)22(26)21(23(25)27)17-7-5-4-6-8-17/h4-12,26H,13-15H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=123.413 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.469 g/mol  logS: -6.3022  SlogP: 5.77512  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120018  Sterimol/B1: 2.50135  Sterimol/B2: 3.62651  Sterimol/B3: 3.77402
  Sterimol/B4: 10.2802  Sterimol/L: 15.2598 
 
 Surface and Volume Properties
  Accessible surface: 619.949  Positive charged surface: 393.75  Negative charged surface: 226.2  Volume: 364.375
  Hydrophobic surface: 537.462  Hydrophilic surface: 82.487
 
 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: no related molecules available.