MMsINC Database Search


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MMsINC code: MMs00846745

Type: Neutral
Formula: C₁₆H₁₀FNO₃

SMILES:

Fc1c2c(ccc1)C(=O)N(C2=O)c1cc(ccc1)C(=O)C

InChI:

InChI=1/C16H10FNO3/c1-9(19)10-4-2-5-11(8-10)18-15(20)12-6-3-7-13(17)14(12)16(18)21/h2-8H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.2655 kcal/mol

Physical Properties
Molecular Weight: 283.258 g/mol	logS: -4.36584	SlogP: 2.8289	Reactive groups: 0

Topological Properties
Globularity: 0.0036462	Sterimol/B1: 2.09825	Sterimol/B2: 2.51209	Sterimol/B3: 3.44154
Sterimol/B4: 5.69882	Sterimol/L: 15.2344

Surface and Volume Properties
Accessible surface: 475.147	Positive charged surface: 229.208	Negative charged surface: 245.939	Volume: 247.125
Hydrophobic surface: 365.506	Hydrophilic surface: 109.641

Pharmacophoric Properties
Hydrogen bond donors: 0	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.