MMsINC Database Search


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MMsINC code: MMs00635931

Type: Neutral
Formula: C₂₂H₂₀FNO

SMILES:

Fc1ccc(cc1)C(=O)NC(c1cc(ccc1C)C)c1ccccc1

InChI:

InChI=1/C22H20FNO/c1-15-8-9-16(2)20(14-15)21(17-6-4-3-5-7-17)24-22(25)18-10-12-19(23)13-11-18/h3-14,21H,1-2H3,(H,24,25)/t21-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.7228 kcal/mol

Physical Properties
Molecular Weight: 333.406 g/mol	logS: -6.30963	SlogP: 5.05744	Reactive groups: 0

Topological Properties
Globularity: 0.204997	Sterimol/B1: 2.45843	Sterimol/B2: 4.5563	Sterimol/B3: 5.84508
Sterimol/B4: 7.56784	Sterimol/L: 15.1722

Surface and Volume Properties
Accessible surface: 592.973	Positive charged surface: 315.938	Negative charged surface: 277.036	Volume: 334.375
Hydrophobic surface: 569.176	Hydrophilic surface: 23.797

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.