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SIAL-ZINC04506084

 MMsINC code: MMs03916180
Type: Neutral
Formula: C25H30N3-
SMILES:   N(C)(C)[C-]1C=CC(C=C1)=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1
InChI:   InChI=1/C25H30N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18H,1-6H3/q-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=165.455 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.536 g/mol  logS: -4.85952  SlogP: 4.65738  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102253  Sterimol/B1: 2.91601  Sterimol/B2: 3.39592  Sterimol/B3: 3.97358
  Sterimol/B4: 12.8212  Sterimol/L: 15.9697 
 
 Surface and Volume Properties
  Accessible surface: 706.019  Positive charged surface: 565.912  Negative charged surface: 136.371  Volume: 408.375
  Hydrophobic surface: 671.954  Hydrophilic surface: 34.065
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 1  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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Ions/Tautomers related molecules: no related molecules available.