MMsINC Database Search


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MMsINC code: MMs01451970

Type: Neutral
Formula: C₁₉H₂₀FNO₆

SMILES:

Fc1cc(NC(=O)COC(=O)Cc2cc(OC)c(OC)c(OC)c2)ccc1

InChI:

InChI=1/C19H20FNO6/c1-24-15-7-12(8-16(25-2)19(15)26-3)9-18(23)27-11-17(22)21-14-6-4-5-13(20)10-14/h4-8,10H,9,11H2,1-3H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.356 kcal/mol

Physical Properties
Molecular Weight: 377.368 g/mol	logS: -4.27063	SlogP: 2.57587	Reactive groups: 1

Topological Properties
Globularity: 0.0341054	Sterimol/B1: 2.31133	Sterimol/B2: 3.02843	Sterimol/B3: 4.02833
Sterimol/B4: 9.51126	Sterimol/L: 20.794

Surface and Volume Properties
Accessible surface: 668.756	Positive charged surface: 486.133	Negative charged surface: 182.623	Volume: 342.75
Hydrophobic surface: 567.974	Hydrophilic surface: 100.782

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.