MMsINC Database Search


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MMsINC code: MMs01616184

Type: Neutral
Formula: C₂₀H₁₅F₂NO

SMILES:

Fc1cc(F)ccc1C(=O)NC(c1ccccc1)c1ccccc1

InChI:

InChI=1/C20H15F2NO/c21-16-11-12-17(18(22)13-16)20(24)23-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.1768 kcal/mol

Physical Properties
Molecular Weight: 323.342 g/mol	logS: -5.65677	SlogP: 4.5797	Reactive groups: 0

Topological Properties
Globularity: 0.176992	Sterimol/B1: 2.295	Sterimol/B2: 3.95927	Sterimol/B3: 4.19492
Sterimol/B4: 9.1716	Sterimol/L: 14.112

Surface and Volume Properties
Accessible surface: 558.969	Positive charged surface: 266.761	Negative charged surface: 292.208	Volume: 304.875
Hydrophobic surface: 531.355	Hydrophilic surface: 27.614

Pharmacophoric Properties
Hydrogen bond donors: 1	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.