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MMsINC code: MMs00832247

Type: Neutral
Formula: C₂₁H₂₀FNO₂

SMILES:

Fc1ccc(cc1)-c1n(c(cc1)CCC(O)=O)-c1ccc(cc1)CC

InChI:

InChI=1/C21H20FNO2/c1-2-15-3-9-18(10-4-15)23-19(12-14-21(24)25)11-13-20(23)16-5-7-17(22)8-6-16/h3-11,13H,2,12,14H2,1H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.1344 kcal/mol

Physical Properties
Molecular Weight: 337.394 g/mol	logS: -5.29098	SlogP: 4.86294	Reactive groups: 0

Topological Properties
Globularity: 0.109061	Sterimol/B1: 2.49736	Sterimol/B2: 3.64304	Sterimol/B3: 3.68275
Sterimol/B4: 10.1915	Sterimol/L: 14.8464

Surface and Volume Properties
Accessible surface: 586.464	Positive charged surface: 338.106	Negative charged surface: 248.359	Volume: 330.875
Hydrophobic surface: 461.331	Hydrophilic surface: 125.133

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs00832248
CHEMDIV-ZINC00094824