MMsINC Database Search


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MMsINC code: MMs00975575

Type: Neutral
Formula: C₂₄H₁₇F₂N₃

SMILES:

Fc1cc2c3n(nc(c3cnc2cc1F)-c1ccc(cc1)C)-c1ccc(cc1)C

InChI:

InChI=1/C24H17F2N3/c1-14-3-7-16(8-4-14)23-19-13-27-22-12-21(26)20(25)11-18(22)24(19)29(28-23)17-9-5-15(2)6-10-17/h3-13H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.824 kcal/mol

Physical Properties
Molecular Weight: 385.417 g/mol	logS: -7.90699	SlogP: 6.13574	Reactive groups: 0

Topological Properties
Globularity: 0.031874	Sterimol/B1: 3.12353	Sterimol/B2: 3.14183	Sterimol/B3: 4.41426
Sterimol/B4: 7.96464	Sterimol/L: 17.1229

Surface and Volume Properties
Accessible surface: 628.444	Positive charged surface: 332.265	Negative charged surface: 287.162	Volume: 357.125
Hydrophobic surface: 591.935	Hydrophilic surface: 36.509

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