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FDA-ZINC01482035

 MMsINC code: MMs01725439
Type: Tautomer
Formula: C20H26N2
SMILES:   N(CCCN1c2c(cccc2)C(c2c1cccc2)(C)C)(C)C
InChI:   InChI=1/C20H26N2/c1-20(2)16-10-5-7-12-18(16)22(15-9-14-21(3)4)19-13-8-6-11-17(19)20/h5-8,10-13H,9,14-15H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.1425 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.442 g/mol  logS: -4.42368  SlogP: 4.4157  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0770432  Sterimol/B1: 2.44273  Sterimol/B2: 4.77167  Sterimol/B3: 5.90996
  Sterimol/B4: 6.21885  Sterimol/L: 14.3777 
 
 Surface and Volume Properties
  Accessible surface: 552.268  Positive charged surface: 396.145  Negative charged surface: 156.123  Volume: 320.375
  Hydrophobic surface: 509.388  Hydrophilic surface: 42.88
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 0  Oprea's lead like rule: 1
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Parent related molecule:


MMs01725438
FDA-ZINC01482035