MMsINC Database Search


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MMsINC code: MMs00616813

Type: Neutral
Formula: C₁₇H₁₄F₂N₂O₂

SMILES:

Fc1cc(NC(=O)C2CC(=O)N(C2)c2ccc(F)cc2)ccc1

InChI:

InChI=1/C17H14F2N2O2/c18-12-4-6-15(7-5-12)21-10-11(8-16(21)22)17(23)20-14-3-1-2-13(19)9-14/h1-7,9,11H,8,10H2,(H,20,23)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.0871 kcal/mol

Physical Properties
Molecular Weight: 316.307 g/mol	logS: -3.85461	SlogP: 2.9564	Reactive groups: 0

Topological Properties
Globularity: 0.0263615	Sterimol/B1: 2.21961	Sterimol/B2: 3.75141	Sterimol/B3: 4.07706
Sterimol/B4: 5.09655	Sterimol/L: 17.5699

Surface and Volume Properties
Accessible surface: 535.329	Positive charged surface: 281.705	Negative charged surface: 253.624	Volume: 278.875
Hydrophobic surface: 463.931	Hydrophilic surface: 71.398

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.