MMsINC Database Search


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MMsINC code: MMs00419570

Type: Neutral
Formula: C₁₇H₁₄F₂N₂O

SMILES:

Fc1ccc(cc1)C(=O)NCCc1c2cc(F)ccc2[nH]c1

InChI:

InChI=1/C17H14F2N2O/c18-13-3-1-11(2-4-13)17(22)20-8-7-12-10-21-16-6-5-14(19)9-15(12)16/h1-6,9-10,21H,7-8H2,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.1718 kcal/mol

Physical Properties
Molecular Weight: 300.308 g/mol	logS: -4.24024	SlogP: 3.41857	Reactive groups: 0

Topological Properties
Globularity: 0.0593648	Sterimol/B1: 2.50403	Sterimol/B2: 4.44882	Sterimol/B3: 5.11886
Sterimol/B4: 5.14957	Sterimol/L: 17.1871

Surface and Volume Properties
Accessible surface: 532.887	Positive charged surface: 277.993	Negative charged surface: 249.881	Volume: 272.875
Hydrophobic surface: 445.401	Hydrophilic surface: 87.486

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.