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CHEMBRIDGE-ZINC02876737

 MMsINC code: MMs00732140
Type: Neutral
Formula: C19H29NO2
SMILES:   O(CCNC(=O)C1CCCCC1)c1cc(ccc1C(C)C)C
InChI:   InChI=1/C19H29NO2/c1-14(2)17-10-9-15(3)13-18(17)22-12-11-20-19(21)16-7-5-4-6-8-16/h9-10,13-14,16H,4-8,11-12H2,1-3H3,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.1006 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 303.446 g/mol  logS: -5.12718  SlogP: 4.19372  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0828273  Sterimol/B1: 2.44625  Sterimol/B2: 2.47668  Sterimol/B3: 5.33041
  Sterimol/B4: 7.53567  Sterimol/L: 16.2684 
 
 Surface and Volume Properties
  Accessible surface: 607.137  Positive charged surface: 444.816  Negative charged surface: 162.321  Volume: 330.25
  Hydrophobic surface: 533.541  Hydrophilic surface: 73.596
 
 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: no related molecules available.