MMsINC Database Search


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MMsINC code: MMs01524889

Type: Neutral
Formula: C₁₉H₂₂FNO₄

SMILES:

Fc1ccc(cc1)C(NC(=O)Cc1cc(OC)c(OC)c(OC)c1)C

InChI:

InChI=1/C19H22FNO4/c1-12(14-5-7-15(20)8-6-14)21-18(22)11-13-9-16(23-2)19(25-4)17(10-13)24-3/h5-10,12H,11H2,1-4H3,(H,21,22)/t12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.5743 kcal/mol

Physical Properties
Molecular Weight: 347.386 g/mol	logS: -4.13371	SlogP: 3.36687	Reactive groups: 0

Topological Properties
Globularity: 0.0580289	Sterimol/B1: 2.43047	Sterimol/B2: 3.73944	Sterimol/B3: 5.07772
Sterimol/B4: 8.07405	Sterimol/L: 18.5113

Surface and Volume Properties
Accessible surface: 639.947	Positive charged surface: 468.488	Negative charged surface: 171.459	Volume: 332.875
Hydrophobic surface: 570.667	Hydrophilic surface: 69.28

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.