MMsINC Database Search


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MMsINC code: MMs01468512

Type: Neutral
Formula: C₁₈H₁₈FNO₄

SMILES:

Fc1ccc(NC(=O)COC(=O)c2ccc(OC(C)C)cc2)cc1

InChI:

InChI=1/C18H18FNO4/c1-12(2)24-16-9-3-13(4-10-16)18(22)23-11-17(21)20-15-7-5-14(19)6-8-15/h3-10,12H,11H2,1-2H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.9201 kcal/mol

Physical Properties
Molecular Weight: 331.343 g/mol	logS: -4.76282	SlogP: 3.4084	Reactive groups: 0

Topological Properties
Globularity: 0.0186637	Sterimol/B1: 2.04722	Sterimol/B2: 4.3187	Sterimol/B3: 4.4574
Sterimol/B4: 4.6054	Sterimol/L: 20.2148

Surface and Volume Properties
Accessible surface: 615.501	Positive charged surface: 359.659	Negative charged surface: 255.842	Volume: 308.25
Hydrophobic surface: 482.844	Hydrophilic surface: 132.657

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