MMsINC Database Search


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MMsINC code: MMs00832924

Type: Neutral
Formula: C₂₁H₁₅F₂N₃

SMILES:

Fc1cc(F)ccc1Nc1nc(nc2c1cccc2)-c1cc(ccc1)C

InChI:

InChI=1/C21H15F2N3/c1-13-5-4-6-14(11-13)20-24-18-8-3-2-7-16(18)21(26-20)25-19-10-9-15(22)12-17(19)23/h2-12H,1H3,(H,24,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.4474 kcal/mol

Physical Properties
Molecular Weight: 347.368 g/mol	logS: -7.81554	SlogP: 5.62702	Reactive groups: 0

Topological Properties
Globularity: 0.0184165	Sterimol/B1: 2.51432	Sterimol/B2: 2.92782	Sterimol/B3: 6.60443
Sterimol/B4: 7.6209	Sterimol/L: 14.4449

Surface and Volume Properties
Accessible surface: 568.572	Positive charged surface: 287.07	Negative charged surface: 271.213	Volume: 320.75
Hydrophobic surface: 528.685	Hydrophilic surface: 39.887

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1

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Ions/Tautomers related molecules: no related molecules available.