MMsINC Database Search


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MMsINC code: MMs00293622

Type: Neutral
Formula: C₂₂H₁₅FN₂O₂

SMILES:

Fc1ccccc1\C=C\C1=Nc2c(cccc2)C(=O)N1c1cc(O)ccc1

InChI:

InChI=1/C22H15FN2O2/c23-19-10-3-1-6-15(19)12-13-21-24-20-11-4-2-9-18(20)22(27)25(21)16-7-5-8-17(26)14-16/h1-14,26H/b13-12+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.812 kcal/mol

Physical Properties
Molecular Weight: 358.372 g/mol	logS: -6.11607	SlogP: 4.9351	Reactive groups: 0

Topological Properties
Globularity: 0.0646743	Sterimol/B1: 3.77701	Sterimol/B2: 3.9854	Sterimol/B3: 4.92976
Sterimol/B4: 7.35083	Sterimol/L: 16.24

Surface and Volume Properties
Accessible surface: 603.663	Positive charged surface: 315.731	Negative charged surface: 287.932	Volume: 334.375
Hydrophobic surface: 512.166	Hydrophilic surface: 91.497

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.