MMsINC Database Search


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MMsINC code: MMs02719321

Type: Neutral
Formula: C₂₁H₁₅F₂N₃O

SMILES:

Fc1cccc(F)c1C(=O)Nc1cc(ccc1)-c1nc2n(c1)C=CC=C2C

InChI:

InChI=1/C21H15F2N3O/c1-13-5-4-10-26-12-18(25-20(13)26)14-6-2-7-15(11-14)24-21(27)19-16(22)8-3-9-17(19)23/h2-12H,1H3,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.5343 kcal/mol

Physical Properties
Molecular Weight: 363.367 g/mol	logS: -5.5878	SlogP: 4.9682	Reactive groups: 0

Topological Properties
Globularity: 0.0273281	Sterimol/B1: 2.35891	Sterimol/B2: 3.04203	Sterimol/B3: 3.62442
Sterimol/B4: 9.74219	Sterimol/L: 17.8165

Surface and Volume Properties
Accessible surface: 617.989	Positive charged surface: 315.819	Negative charged surface: 302.17	Volume: 331.625
Hydrophobic surface: 556.37	Hydrophilic surface: 61.619

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.