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NCID-ZINC01669600

 MMsINC code: MMs02305667
Type: Neutral
Formula: C24H26N2
SMILES:   [nH]1c2c(cccc2)c(C=2CC(C3c4c(NC3(C=2)C)cccc4)(C)C)c1C
InChI:   InChI=1/C24H26N2/c1-15-21(17-9-5-7-11-19(17)25-15)16-13-23(2,3)22-18-10-6-8-12-20(18)26-24(22,4)14-16/h5-12,14,22,25-26H,13H2,1-4H3/t22-,24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=127.214 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.486 g/mol  logS: -6.03  SlogP: 6.25762  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14642  Sterimol/B1: 2.23326  Sterimol/B2: 2.36257  Sterimol/B3: 6.22881
  Sterimol/B4: 7.1652  Sterimol/L: 16.7328 
 
 Surface and Volume Properties
  Accessible surface: 580.673  Positive charged surface: 356.157  Negative charged surface: 220.106  Volume: 360.25
  Hydrophobic surface: 482.701  Hydrophilic surface: 97.972
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 0  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: 0
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Ions/Tautomers related molecules: no related molecules available.