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CHEMDIV-ZINC06876426

 MMsINC code: MMs01051504
Type: Neutral
Formula: C19H23FN2O3
SMILES:   Fc1ccc(cc1)-c1onc(c1)COCC(=O)N1C(CCCC1C)C
InChI:   InChI=1/C19H23FN2O3/c1-13-4-3-5-14(2)22(13)19(23)12-24-11-17-10-18(25-21-17)15-6-8-16(20)9-7-15/h6-10,13-14H,3-5,11-12H2,1-2H3/t13-,14-/m0/s1

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Potential Energy
Epot(MMFF94)=106.276 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.402 g/mol  logS: -4.46566  SlogP: 4.0532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0315102  Sterimol/B1: 2.24323  Sterimol/B2: 3.81692  Sterimol/B3: 4.96054
  Sterimol/B4: 6.15159  Sterimol/L: 18.5314 
 
 Surface and Volume Properties
  Accessible surface: 607.219  Positive charged surface: 380.394  Negative charged surface: 226.825  Volume: 331.125
  Hydrophobic surface: 513.485  Hydrophilic surface: 93.734
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.