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PUBCHEM-ZINC01691943

 MMsINC code: MMs02818654
Type: Neutral
Formula: C23H24N2O2
SMILES:   OC(=O)C(C)(c1c2c(n(C)c1C)cccc2)c1c2c(n(C)c1C)cccc2
InChI:   InChI=1/C23H24N2O2/c1-14-20(16-10-6-8-12-18(16)24(14)4)23(3,22(26)27)21-15(2)25(5)19-13-9-7-11-17(19)21/h6-13H,1-5H3,(H,26,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=127.465 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.457 g/mol  logS: -4.25458  SlogP: 5.39584  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.308702  Sterimol/B1: 2.30316  Sterimol/B2: 5.35491  Sterimol/B3: 5.88023
  Sterimol/B4: 6.9146  Sterimol/L: 14.0731 
 
 Surface and Volume Properties
  Accessible surface: 571.592  Positive charged surface: 361.321  Negative charged surface: 207.212  Volume: 360.5
  Hydrophobic surface: 493.19  Hydrophilic surface: 78.402
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02818655
PUBCHEM-ZINC01691943