MMsINC Database Search


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MMsINC code: MMs00714613

Type: Neutral
Formula: C₁₆H₁₅F₂NO₂

SMILES:

Fc1cc(NC(=O)CCc2ccc(OC)cc2)ccc1F

InChI:

InChI=1/C16H15F2NO2/c1-21-13-6-2-11(3-7-13)4-9-16(20)19-12-5-8-14(17)15(18)10-12/h2-3,5-8,10H,4,9H2,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.5008 kcal/mol

Physical Properties
Molecular Weight: 291.297 g/mol	logS: -3.9386	SlogP: 3.54467	Reactive groups: 0

Topological Properties
Globularity: 0.0330519	Sterimol/B1: 2.85651	Sterimol/B2: 3.05104	Sterimol/B3: 3.17201
Sterimol/B4: 4.73418	Sterimol/L: 18.7166

Surface and Volume Properties
Accessible surface: 537.017	Positive charged surface: 319.32	Negative charged surface: 217.697	Volume: 268.75
Hydrophobic surface: 482.795	Hydrophilic surface: 54.222

Pharmacophoric Properties
Hydrogen bond donors: 1	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.