MMsINC Database Search


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MMsINC code: MMs01409760

Type: Neutral
Formula: C₂₂H₁₈FNO₄

SMILES:

Fc1ccc(cc1)CNC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1

InChI:

InChI=1/C22H18FNO4/c23-18-10-6-16(7-11-18)14-24-21(25)15-27-22(26)17-8-12-20(13-9-17)28-19-4-2-1-3-5-19/h1-13H,14-15H2,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.1224 kcal/mol

Physical Properties
Molecular Weight: 379.387 g/mol	logS: -5.78477	SlogP: 4.3576	Reactive groups: 0

Topological Properties
Globularity: 0.0305288	Sterimol/B1: 2.30687	Sterimol/B2: 3.19185	Sterimol/B3: 4.03237
Sterimol/B4: 5.99155	Sterimol/L: 22.9775

Surface and Volume Properties
Accessible surface: 676.432	Positive charged surface: 375.759	Negative charged surface: 300.673	Volume: 357.25
Hydrophobic surface: 583.557	Hydrophilic surface: 92.875

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.