MMsINC Database Search


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MMsINC code: MMs01549811

Type: Neutral
Formula: C₁₈H₁₆FNO₅

SMILES:

Fc1cc(NC(=O)COC(=O)c2ccc(cc2)C(OC)=O)ccc1C

InChI:

InChI=1/C18H16FNO5/c1-11-3-8-14(9-15(11)19)20-16(21)10-25-18(23)13-6-4-12(5-7-13)17(22)24-2/h3-9H,10H2,1-2H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.2009 kcal/mol

Physical Properties
Molecular Weight: 345.326 g/mol	logS: -4.60022	SlogP: 2.71622	Reactive groups: 0

Topological Properties
Globularity: 0.0104909	Sterimol/B1: 2.73575	Sterimol/B2: 2.74689	Sterimol/B3: 2.96048
Sterimol/B4: 7.11585	Sterimol/L: 19.768

Surface and Volume Properties
Accessible surface: 617.004	Positive charged surface: 378.302	Negative charged surface: 238.702	Volume: 311.625
Hydrophobic surface: 494.145	Hydrophilic surface: 122.859

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.