MMsINC Database Search


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MMsINC code: MMs01546968

Type: Neutral
Formula: C₂₀H₂₂FNO₅

SMILES:

Fc1ccc(NC(=O)C(OC(=O)c2cc(OC)c(OCCC)cc2)C)cc1

InChI:

InChI=1/C20H22FNO5/c1-4-11-26-17-10-5-14(12-18(17)25-3)20(24)27-13(2)19(23)22-16-8-6-15(21)7-9-16/h5-10,12-13H,4,11H2,1-3H3,(H,22,23)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.579 kcal/mol

Physical Properties
Molecular Weight: 375.396 g/mol	logS: -5.01497	SlogP: 3.8071	Reactive groups: 0

Topological Properties
Globularity: 0.0372922	Sterimol/B1: 2.10385	Sterimol/B2: 3.53374	Sterimol/B3: 4.09001
Sterimol/B4: 9.22293	Sterimol/L: 19.7158

Surface and Volume Properties
Accessible surface: 679.213	Positive charged surface: 436.319	Negative charged surface: 242.894	Volume: 352.125
Hydrophobic surface: 555.953	Hydrophilic surface: 123.26

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.