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NCID-ZINC05442097

 MMsINC code: MMs02463472
Type: Neutral
Formula: C19H25NO
SMILES:   OC(CC(c1ccccc1)c1ccccc1)CNC(C)C
InChI:   InChI=1/C19H25NO/c1-15(2)20-14-18(21)13-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,18-21H,13-14H2,1-2H3/t18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.7186 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.415 g/mol  logS: -3.48296  SlogP: 3.5675  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112398  Sterimol/B1: 3.67781  Sterimol/B2: 4.22555  Sterimol/B3: 5.09689
  Sterimol/B4: 5.8893  Sterimol/L: 15.4277 
 
 Surface and Volume Properties
  Accessible surface: 567.863  Positive charged surface: 373.497  Negative charged surface: 194.366  Volume: 309.75
  Hydrophobic surface: 496.972  Hydrophilic surface: 70.891
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02463473
NCID-ZINC05442097