MMsINC Database Search


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MMsINC code: MMs02309196

Type: Neutral
Formula: C₁₅H₁₂FNO

SMILES:

Fc1cc-2c(Cc3cc(NC(=O)C)ccc-23)cc1

InChI:

InChI=1/C15H12FNO/c1-9(18)17-13-4-5-14-11(7-13)6-10-2-3-12(16)8-15(10)14/h2-5,7-8H,6H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.6926 kcal/mol

Physical Properties
Molecular Weight: 241.265 g/mol	logS: -4.78657	SlogP: 3.35527	Reactive groups: 0

Topological Properties
Globularity: 0.0138971	Sterimol/B1: 2.24618	Sterimol/B2: 2.65446	Sterimol/B3: 3.96341
Sterimol/B4: 3.97611	Sterimol/L: 15.2342

Surface and Volume Properties
Accessible surface: 448.145	Positive charged surface: 251.947	Negative charged surface: 186.006	Volume: 227.75
Hydrophobic surface: 397.895	Hydrophilic surface: 50.25

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.