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ENAMINE-ZINC03336396

 MMsINC code: MMs01380085
Type: Neutral
Formula: C21H25FN2O4
SMILES:   Fc1ccc(cc1)C(N1CCOCC1)CNC(=O)c1cc(OC)cc(OC)c1
InChI:   InChI=1/C21H25FN2O4/c1-26-18-11-16(12-19(13-18)27-2)21(25)23-14-20(24-7-9-28-10-8-24)15-3-5-17(22)6-4-15/h3-6,11-13,20H,7-10,14H2,1-2H3,(H,23,25)/t20-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=132.893 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.439 g/mol  logS: -3.88402  SlogP: 2.7417  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0759392  Sterimol/B1: 2.88354  Sterimol/B2: 4.26066  Sterimol/B3: 4.6264
  Sterimol/B4: 7.18784  Sterimol/L: 18.4701 
 
 Surface and Volume Properties
  Accessible surface: 655.655  Positive charged surface: 473.145  Negative charged surface: 182.51  Volume: 366.75
  Hydrophobic surface: 582.954  Hydrophilic surface: 72.701
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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


MMs01380086
ENAMINE-ZINC03336396