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ASINEX-ZINC00872190

MMsINC code: MMs00202276

Type: Neutral
Formula: C21H25FN2O4
SMILES:   Fc1ccc(cc1)C(=O)N1CCN(CC1)Cc1ccc(OC)c(OC)c1OC
InChI:   InChI=1/C21H25FN2O4/c1-26-18-9-6-16(19(27-2)20(18)28-3)14-23-10-12-24(13-11-23)21(25)15-4-7-17(22)8-5-15/h4-9H,10-14H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=161.017 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.439 g/mol  logS: -3.68577  SlogP: 3.0759  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0869824  Sterimol/B1: 2.65088  Sterimol/B2: 2.75671  Sterimol/B3: 5.46228
  Sterimol/B4: 6.4976  Sterimol/L: 19.1973 
 
 Surface and Volume Properties
  Accessible surface: 640.774  Positive charged surface: 477.742  Negative charged surface: 163.032  Volume: 367.625
  Hydrophobic surface: 589.808  Hydrophilic surface: 50.966
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00202277
ASINEX-ZINC00872190