MMsINC Database Search


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MMsINC code: MMs00975576

Type: Neutral
Formula: C₂₃H₁₄F₃N₃

SMILES:

Fc1cc2c3n(nc(c3cnc2cc1F)-c1ccc(cc1)C)-c1cc(F)ccc1

InChI:

InChI=1/C23H14F3N3/c1-13-5-7-14(8-6-13)22-18-12-27-21-11-20(26)19(25)10-17(21)23(18)29(28-22)16-4-2-3-15(24)9-16/h2-12H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.38 kcal/mol

Physical Properties
Molecular Weight: 389.38 g/mol	logS: -7.72805	SlogP: 5.96642	Reactive groups: 0

Topological Properties
Globularity: 0.034854	Sterimol/B1: 3.03746	Sterimol/B2: 3.27846	Sterimol/B3: 5.8719
Sterimol/B4: 6.61055	Sterimol/L: 16.0532

Surface and Volume Properties
Accessible surface: 604.802	Positive charged surface: 295.229	Negative charged surface: 300.556	Volume: 343.25
Hydrophobic surface: 568.293	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.