MMsINC Database Search


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MMsINC code: MMs01451977

Type: Neutral
Formula: C₂₀H₂₂FNO₆

SMILES:

Fc1cc(NC(=O)COC(=O)Cc2cc(OC)c(OC)c(OC)c2)ccc1C

InChI:

InChI=1/C20H22FNO6/c1-12-5-6-14(10-15(12)21)22-18(23)11-28-19(24)9-13-7-16(25-2)20(27-4)17(8-13)26-3/h5-8,10H,9,11H2,1-4H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.965 kcal/mol

Physical Properties
Molecular Weight: 391.395 g/mol	logS: -4.4311	SlogP: 2.88429	Reactive groups: 1

Topological Properties
Globularity: 0.028696	Sterimol/B1: 2.66198	Sterimol/B2: 4.27168	Sterimol/B3: 5.61357
Sterimol/B4: 6.19111	Sterimol/L: 21.7633

Surface and Volume Properties
Accessible surface: 705.036	Positive charged surface: 520.398	Negative charged surface: 184.638	Volume: 359.375
Hydrophobic surface: 601.291	Hydrophilic surface: 103.745

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.