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CHEMBRIDGE-ZINC03001807

 MMsINC code: MMs00750248
Type: Neutral
Formula: C19H25NO
SMILES:   O(CCCCNC(C)C)c1ccccc1-c1ccccc1
InChI:   InChI=1/C19H25NO/c1-16(2)20-14-8-9-15-21-19-13-7-6-12-18(19)17-10-4-3-5-11-17/h3-7,10-13,16,20H,8-9,14-15H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.3868 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.415 g/mol  logS: -4.68654  SlogP: 4.5106  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0391718  Sterimol/B1: 2.48228  Sterimol/B2: 4.12311  Sterimol/B3: 5.74645
  Sterimol/B4: 6.35668  Sterimol/L: 16.785 
 
 Surface and Volume Properties
  Accessible surface: 607.175  Positive charged surface: 405.541  Negative charged surface: 196.868  Volume: 316.125
  Hydrophobic surface: 548.826  Hydrophilic surface: 58.349
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00750249
CHEMBRIDGE-ZINC03001807