MMsINC Database Search


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MMsINC code: MMs03204810

Type: Neutral
Formula: C₂₁H₁₄F₂N₂O₂

SMILES:

Fc1cc(F)ccc1-c1[nH]c(c(n1)-c1ccc(O)cc1)-c1ccc(O)cc1

InChI:

InChI=1/C21H14F2N2O2/c22-14-5-10-17(18(23)11-14)21-24-19(12-1-6-15(26)7-2-12)20(25-21)13-3-8-16(27)9-4-13/h1-11,26-27H,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.3034 kcal/mol

Physical Properties
Molecular Weight: 364.351 g/mol	logS: -7.33118	SlogP: 5.1001	Reactive groups: 0

Topological Properties
Globularity: 0.0378096	Sterimol/B1: 2.18419	Sterimol/B2: 3.24991	Sterimol/B3: 3.80868
Sterimol/B4: 8.81391	Sterimol/L: 15.5399

Surface and Volume Properties
Accessible surface: 587.467	Positive charged surface: 323.496	Negative charged surface: 263.971	Volume: 324
Hydrophobic surface: 468.119	Hydrophilic surface: 119.348

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.