MMsINC Database Search


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MMsINC code: MMs02260835

Type: Neutral
Formula: C₁₅H₉F₄NO

SMILES:

Fc1c(F)c(F)c-2c(Cc3cc(NC(=O)C)ccc-23)c1F

InChI:

InChI=1/C15H9F4NO/c1-6(21)20-8-2-3-9-7(4-8)5-10-11(9)13(17)15(19)14(18)12(10)16/h2-4H,5H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.535 kcal/mol

Physical Properties
Molecular Weight: 295.235 g/mol	logS: -5.35806	SlogP: 3.77257	Reactive groups: 0

Topological Properties
Globularity: 0.0138084	Sterimol/B1: 2.24925	Sterimol/B2: 2.65342	Sterimol/B3: 3.94733
Sterimol/B4: 4.26154	Sterimol/L: 15.5192

Surface and Volume Properties
Accessible surface: 461.78	Positive charged surface: 227.231	Negative charged surface: 224.356	Volume: 236.5
Hydrophobic surface: 411.53	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.