MMsINC Database Search


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MMsINC code: MMs01418664

Type: Neutral
Formula: C₁₅H₁₁F₂NO₃

SMILES:

Fc1cc(F)ccc1NC(=O)COC(=O)c1ccccc1

InChI:

InChI=1/C15H11F2NO3/c16-11-6-7-13(12(17)8-11)18-14(19)9-21-15(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.9805 kcal/mol

Physical Properties
Molecular Weight: 291.253 g/mol	logS: -4.353	SlogP: 2.7603	Reactive groups: 0

Topological Properties
Globularity: 0.0125481	Sterimol/B1: 2.45378	Sterimol/B2: 2.93507	Sterimol/B3: 3.17058
Sterimol/B4: 5.28011	Sterimol/L: 16.998

Surface and Volume Properties
Accessible surface: 515.931	Positive charged surface: 261.964	Negative charged surface: 253.967	Volume: 253.25
Hydrophobic surface: 432.576	Hydrophilic surface: 83.355

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.