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NCID-ZINC01867004

 MMsINC code: MMs02375431
Type: Neutral
Formula: C29H37N
SMILES:   N(CCCc1ccccc1)(CCCc1ccccc1)c1ccc(cc1)C(CC)(C)C
InChI:   InChI=1/C29H37N/c1-4-29(2,3)27-19-21-28(22-20-27)30(23-11-17-25-13-7-5-8-14-25)24-12-18-26-15-9-6-10-16-26/h5-10,13-16,19-22H,4,11-12,17-18,23-24H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=115.302 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 399.622 g/mol  logS: -7.90937  SlogP: 7.44614  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0824032  Sterimol/B1: 2.73087  Sterimol/B2: 3.03552  Sterimol/B3: 4.57601
  Sterimol/B4: 13.4027  Sterimol/L: 17.4155 
 
 Surface and Volume Properties
  Accessible surface: 784.028  Positive charged surface: 489.461  Negative charged surface: 294.568  Volume: 452.375
  Hydrophobic surface: 717.53  Hydrophilic surface: 66.498
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.