MMsINC Database Search


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MMsINC code: MMs00249942

Type: Neutral
Formula: C₁₅H₉F₂N₃O

SMILES:

Fc1cc(F)ccc1NC(=O)c1c2nccnc2ccc1

InChI:

InChI=1/C15H9F2N3O/c16-9-4-5-12(11(17)8-9)20-15(21)10-2-1-3-13-14(10)19-7-6-18-13/h1-8H,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.0606 kcal/mol

Physical Properties
Molecular Weight: 285.253 g/mol	logS: -3.24403	SlogP: 3.1603	Reactive groups: 0

Topological Properties
Globularity: 0.0159551	Sterimol/B1: 2.4398	Sterimol/B2: 2.54995	Sterimol/B3: 2.89255
Sterimol/B4: 7.39213	Sterimol/L: 14.692

Surface and Volume Properties
Accessible surface: 469.487	Positive charged surface: 270.976	Negative charged surface: 198.511	Volume: 243.875
Hydrophobic surface: 406.995	Hydrophilic surface: 62.492

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.