MMsINC Database Search


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MMsINC code: MMs02034878

Type: Neutral
Formula: C₂₆H₂₂F₂N₂O

SMILES:

FC(F)Oc1ccc(cc1)C(c1c2c([nH]c1C)cccc2)c1c2c([nH]c1C)cccc2

InChI:

InChI=1/C26H22F2N2O/c1-15-23(19-7-3-5-9-21(19)29-15)25(17-11-13-18(14-12-17)31-26(27)28)24-16(2)30-22-10-6-4-8-20(22)24/h3-14,25-26,29-30H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.645 kcal/mol

Physical Properties
Molecular Weight: 416.471 g/mol	logS: -6.1711	SlogP: 7.46754	Reactive groups: 0

Topological Properties
Globularity: 0.46893	Sterimol/B1: 3.23566	Sterimol/B2: 5.03132	Sterimol/B3: 6.84214
Sterimol/B4: 7.45922	Sterimol/L: 12.9297

Surface and Volume Properties
Accessible surface: 630.016	Positive charged surface: 353.841	Negative charged surface: 274.479	Volume: 390.125
Hydrophobic surface: 493.899	Hydrophilic surface: 136.117

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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: 0

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Ions/Tautomers related molecules: no related molecules available.