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IFLAB-ZINC04941439

 MMsINC code: MMs02068631
Type: Neutral
Formula: C16H18F2N2O4
SMILES:   Fc1cc(F)ccc1NC(=O)C(=O)NCC1OC2(OC1)CCCC2
InChI:   InChI=1/C16H18F2N2O4/c17-10-3-4-13(12(18)7-10)20-15(22)14(21)19-8-11-9-23-16(24-11)5-1-2-6-16/h3-4,7,11H,1-2,5-6,8-9H2,(H,19,21)(H,20,22)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=86.6088 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.326 g/mol  logS: -3.7955  SlogP: 1.7052  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0507508  Sterimol/B1: 2.32153  Sterimol/B2: 2.6898  Sterimol/B3: 4.58702
  Sterimol/B4: 6.21496  Sterimol/L: 17.5724 
 
 Surface and Volume Properties
  Accessible surface: 580.914  Positive charged surface: 366.096  Negative charged surface: 214.818  Volume: 294.75
  Hydrophobic surface: 473.232  Hydrophilic surface: 107.682
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.