MMsINC Database Search


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MMsINC code: MMs01415921

Type: Neutral
Formula: C₁₅H₉F₄NO₃

SMILES:

Fc1c(F)c(F)ccc1NC(=O)COC(=O)c1ccccc1F

InChI:

InChI=1/C15H9F4NO3/c16-9-4-2-1-3-8(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)=76.6046 kcal/mol

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

Topological Properties
Globularity: 0.0129444	Sterimol/B1: 2.39446	Sterimol/B2: 2.55438	Sterimol/B3: 2.98594
Sterimol/B4: 5.89737	Sterimol/L: 17.0038

Surface and Volume Properties
Accessible surface: 521.75	Positive charged surface: 246.282	Negative charged surface: 275.468	Volume: 258.5
Hydrophobic surface: 445.656	Hydrophilic surface: 76.094

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.