MMsINC Database Search


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MMsINC code: MMs01961303

Type: Neutral
Formula: C₂₂H₁₆FNO₃

SMILES:

Fc1c2Oc3c(ccc(NC(=O)CCc4ccccc4)c3)C(=O)c2ccc1

InChI:

InChI=1/C22H16FNO3/c23-18-8-4-7-17-21(26)16-11-10-15(13-19(16)27-22(17)18)24-20(25)12-9-14-5-2-1-3-6-14/h1-8,10-11,13H,9,12H2,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.3136 kcal/mol

Physical Properties
Molecular Weight: 361.372 g/mol	logS: -6.215	SlogP: 4.73367	Reactive groups: 0

Topological Properties
Globularity: 0.0250418	Sterimol/B1: 3.32119	Sterimol/B2: 3.64729	Sterimol/B3: 4.3811
Sterimol/B4: 5.8055	Sterimol/L: 20.1454

Surface and Volume Properties
Accessible surface: 626.814	Positive charged surface: 343.768	Negative charged surface: 283.046	Volume: 330.25
Hydrophobic surface: 546.686	Hydrophilic surface: 80.128

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.