MMsINC Database Search


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MMsINC code: MMs00975567

Type: Neutral
Formula: C₂₃H₁₅F₂N₃O

SMILES:

Fc1cc(F)cc2c1ncc1c2n(nc1-c1ccccc1)-c1ccccc1OC

InChI:

InChI=1/C23H15F2N3O/c1-29-20-10-6-5-9-19(20)28-23-16-11-15(24)12-18(25)22(16)26-13-17(23)21(27-28)14-7-3-2-4-8-14/h2-13H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.101 kcal/mol

Physical Properties
Molecular Weight: 387.389 g/mol	logS: -7.00953	SlogP: 5.5275	Reactive groups: 0

Topological Properties
Globularity: 0.144843	Sterimol/B1: 2.44787	Sterimol/B2: 2.53893	Sterimol/B3: 7.34587
Sterimol/B4: 9.36487	Sterimol/L: 14.9486

Surface and Volume Properties
Accessible surface: 614.583	Positive charged surface: 346.666	Negative charged surface: 258.378	Volume: 351.625
Hydrophobic surface: 575.212	Hydrophilic surface: 39.371

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.