MMsINC Database Search


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MMsINC code: MMs01058856

Type: Neutral
Formula: C₁₉H₁₂F₂N₄O

SMILES:

Fc1cc(F)ccc1NC(=O)c1ccc(-n2c3ncccc3nc2)cc1

InChI:

InChI=1/C19H12F2N4O/c20-13-5-8-16(15(21)10-13)24-19(26)12-3-6-14(7-4-12)25-11-23-17-2-1-9-22-18(17)25/h1-11H,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.43 kcal/mol

Physical Properties
Molecular Weight: 350.328 g/mol	logS: -6.06132	SlogP: 3.951	Reactive groups: 0

Topological Properties
Globularity: 0.0153979	Sterimol/B1: 2.3331	Sterimol/B2: 2.91915	Sterimol/B3: 3.24544
Sterimol/B4: 6.16728	Sterimol/L: 19.0261

Surface and Volume Properties
Accessible surface: 575.794	Positive charged surface: 315.658	Negative charged surface: 260.137	Volume: 305.375
Hydrophobic surface: 505.239	Hydrophilic surface: 70.555

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.