MMsINC Database Search


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MMsINC code: MMs02760901

Type: Neutral
Formula: C₁₇H₁₆FNO₄

SMILES:

Fc1ccccc1COC(=O)CNC(=O)c1ccc(OC)cc1

InChI:

InChI=1/C17H16FNO4/c1-22-14-8-6-12(7-9-14)17(21)19-10-16(20)23-11-13-4-2-3-5-15(13)18/h2-9H,10-11H2,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.2683 kcal/mol

Physical Properties
Molecular Weight: 317.316 g/mol	logS: -4.05244	SlogP: 2.5739	Reactive groups: 1

Topological Properties
Globularity: 0.00451145	Sterimol/B1: 2.37541	Sterimol/B2: 2.37697	Sterimol/B3: 2.58287
Sterimol/B4: 6.2448	Sterimol/L: 20.1719

Surface and Volume Properties
Accessible surface: 582.671	Positive charged surface: 348.095	Negative charged surface: 234.576	Volume: 293.5
Hydrophobic surface: 485.47	Hydrophilic surface: 97.201

Pharmacophoric Properties
Hydrogen bond donors: 1	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.