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ENAMINE-ZINC03341714

 MMsINC code: MMs01383492
Type: Neutral
Formula: C20H16ClFN2O4
SMILES:   Clc1cccc(F)c1COC(=O)CN1C(=O)C2(NC1=O)CCc1c2cccc1
InChI:   InChI=1/C20H16ClFN2O4/c21-15-6-3-7-16(22)13(15)11-28-17(25)10-24-18(26)20(23-19(24)27)9-8-12-4-1-2-5-14(12)20/h1-7H,8-11H2,(H,23,27)/t20-/m1/s1

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Potential Energy
Epot(MMFF94)=47.9255 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.809 g/mol  logS: -5.39337  SlogP: 3.49367  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0610084  Sterimol/B1: 3.27848  Sterimol/B2: 3.68778  Sterimol/B3: 4.91313
  Sterimol/B4: 5.62612  Sterimol/L: 19.2723 
 
 Surface and Volume Properties
  Accessible surface: 636.213  Positive charged surface: 321.185  Negative charged surface: 315.027  Volume: 340.25
  Hydrophobic surface: 510.708  Hydrophilic surface: 125.505
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.