MMsINC Database Search


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MMsINC code: MMs01384762

Type: Neutral
Formula: C₁₇H₁₄F₂N₂O₂

SMILES:

FC(F)Oc1ccccc1NC(=O)Cc1c2c([nH]c1)cccc2

InChI:

InChI=1/C17H14F2N2O2/c18-17(19)23-15-8-4-3-7-14(15)21-16(22)9-11-10-20-13-6-2-1-5-12(11)13/h1-8,10,17,20H,9H2,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.6944 kcal/mol

Physical Properties
Molecular Weight: 316.307 g/mol	logS: -3.84049	SlogP: 4.37037	Reactive groups: 0

Topological Properties
Globularity: 0.124209	Sterimol/B1: 2.45706	Sterimol/B2: 2.73164	Sterimol/B3: 5.33967
Sterimol/B4: 6.38373	Sterimol/L: 15.1266

Surface and Volume Properties
Accessible surface: 543.084	Positive charged surface: 300.524	Negative charged surface: 238.7	Volume: 283
Hydrophobic surface: 380.592	Hydrophilic surface: 162.492

Pharmacophoric Properties
Hydrogen bond donors: 2	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.