MMsINC Database Search


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MMsINC code: MMs01085442

Type: Neutral
Formula: C₁₅H₇FN₂O₂

SMILES:

Fc1cc2c(cc1)C(=O)N(c1ccccc1C#N)C2=O

InChI:

InChI=1/C15H7FN2O2/c16-10-5-6-11-12(7-10)15(20)18(14(11)19)13-4-2-1-3-9(13)8-17/h1-7H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.1485 kcal/mol

Physical Properties
Molecular Weight: 266.231 g/mol	logS: -4.4045	SlogP: 2.49798	Reactive groups: 0

Topological Properties
Globularity: 0.122391	Sterimol/B1: 3.6145	Sterimol/B2: 3.97778	Sterimol/B3: 4.01687
Sterimol/B4: 5.44558	Sterimol/L: 13.9932

Surface and Volume Properties
Accessible surface: 463.641	Positive charged surface: 198.462	Negative charged surface: 265.178	Volume: 231.875
Hydrophobic surface: 330.754	Hydrophilic surface: 132.887

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.