MMsINC Database Search


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MMsINC code: MMs00998560

Type: Neutral
Formula: C₁₉H₂₂FNO₄

SMILES:

Fc1cc(NC(=O)CCc2cc(OC)c(OC)c(OC)c2)ccc1C

InChI:

InChI=1/C19H22FNO4/c1-12-5-7-14(11-15(12)20)21-18(22)8-6-13-9-16(23-2)19(25-4)17(10-13)24-3/h5,7,9-11H,6,8H2,1-4H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.26 kcal/mol

Physical Properties
Molecular Weight: 347.386 g/mol	logS: -3.90485	SlogP: 3.73119	Reactive groups: 0

Topological Properties
Globularity: 0.0337433	Sterimol/B1: 2.54652	Sterimol/B2: 4.08884	Sterimol/B3: 5.68133
Sterimol/B4: 6.12963	Sterimol/L: 19.6299

Surface and Volume Properties
Accessible surface: 640.596	Positive charged surface: 473.451	Negative charged surface: 167.145	Volume: 332
Hydrophobic surface: 576.021	Hydrophilic surface: 64.575

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.