MMsINC Database Search


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MMsINC code: MMs03467247

Type: Neutral
Formula: C₂₀H₂₀FNO₄

SMILES:

Fc1ccc(NC(=O)C(OC(=O)\C=C/c2ccc(OCC)cc2)C)cc1

InChI:

InChI=1/C20H20FNO4/c1-3-25-18-11-4-15(5-12-18)6-13-19(23)26-14(2)20(24)22-17-9-7-16(21)8-10-17/h4-14H,3H2,1-2H3,(H,22,24)/b13-6-/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.481 kcal/mol

Physical Properties
Molecular Weight: 357.381 g/mol	logS: -5.26864	SlogP: 3.808	Reactive groups: 0

Topological Properties
Globularity: 0.0611444	Sterimol/B1: 2.24557	Sterimol/B2: 4.05162	Sterimol/B3: 4.39248
Sterimol/B4: 8.55798	Sterimol/L: 19.8865

Surface and Volume Properties
Accessible surface: 654.305	Positive charged surface: 386.505	Negative charged surface: 267.8	Volume: 337.875
Hydrophobic surface: 548.226	Hydrophilic surface: 106.079

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.