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CHEMDIV-ZINC00219754

 MMsINC code: MMs00843043
Type: Neutral
Formula: C19H27NO3
SMILES:   O(C(=O)C(C(=O)Nc1ccc(cc1C)C)C1CCCCC1)CC
InChI:   InChI=1/C19H27NO3/c1-4-23-19(22)17(15-8-6-5-7-9-15)18(21)20-16-11-10-13(2)12-14(16)3/h10-12,15,17H,4-9H2,1-3H3,(H,20,21)/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.2427 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.429 g/mol  logS: -5.51449  SlogP: 4.00154  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118214  Sterimol/B1: 2.50643  Sterimol/B2: 4.00884  Sterimol/B3: 4.98874
  Sterimol/B4: 7.47571  Sterimol/L: 16.3338 
 
 Surface and Volume Properties
  Accessible surface: 607.307  Positive charged surface: 419.921  Negative charged surface: 187.386  Volume: 325.375
  Hydrophobic surface: 540.055  Hydrophilic surface: 67.252
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.