MMsINC Database Search


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MMsINC code: MMs01482764

Type: Neutral
Formula: C₁₅H₉F₄NO₃

SMILES:

Fc1c(F)c(F)ccc1NC(=O)COC(=O)c1ccc(F)cc1

InChI:

InChI=1/C15H9F4NO3/c16-9-3-1-8(2-4-9)15(22)23-7-12(21)20-11-6-5-10(17)13(18)14(11)19/h1-6H,7H2,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.3861 kcal/mol

Physical Properties
Molecular Weight: 327.233 g/mol	logS: -4.94296	SlogP: 3.0385	Reactive groups: 0

Topological Properties
Globularity: 0.0128908	Sterimol/B1: 2.6535	Sterimol/B2: 2.72998	Sterimol/B3: 3.13508
Sterimol/B4: 5.30676	Sterimol/L: 17.0655

Surface and Volume Properties
Accessible surface: 523.167	Positive charged surface: 245.364	Negative charged surface: 277.803	Volume: 258.5
Hydrophobic surface: 442.442	Hydrophilic surface: 80.725

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.