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CHEMDIV-ZINC04255479

 MMsINC code: MMs00932712
Type: Neutral
Formula: C28H37N3
SMILES:   N(C)(C)c1ccc(cc1)C(CCC)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1
InChI:   InChI=1/C28H37N3/c1-8-21-28(22-9-15-25(16-10-22)29(2)3,23-11-17-26(18-12-23)30(4)5)24-13-19-27(20-14-24)31(6)7/h9-20H,8,21H2,1-7H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=212.989 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 415.625 g/mol  logS: -6.47161  SlogP: 6.0191  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.350112  Sterimol/B1: 1.97941  Sterimol/B2: 7.20302  Sterimol/B3: 8.5988
  Sterimol/B4: 9.12821  Sterimol/L: 15.7727 
 
 Surface and Volume Properties
  Accessible surface: 744.938  Positive charged surface: 617.964  Negative charged surface: 126.974  Volume: 455.875
  Hydrophobic surface: 721.95  Hydrophilic surface: 22.988
 
 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.