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ACROSORGANICS-ZINC03861553

 MMsINC code: MMs00016001
Type: Neutral
Formula: C25H31N3
SMILES:   N(C)(C)c1ccc(cc1)C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1
InChI:   InChI=1/C25H31N3/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/h7-18,25H,1-6H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=166.646 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.544 g/mol  logS: -4.92595  SlogP: 5.0648  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163936  Sterimol/B1: 2.5477  Sterimol/B2: 3.58333  Sterimol/B3: 4.77008
  Sterimol/B4: 11.964  Sterimol/L: 15.7809 
 
 Surface and Volume Properties
  Accessible surface: 692.872  Positive charged surface: 569.176  Negative charged surface: 123.696  Volume: 405.75
  Hydrophobic surface: 692.872  Hydrophilic surface: 0
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.