MMsINC Database Search


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MMsINC code: MMs01429971

Type: Neutral
Formula: C₁₅H₁₂FNO₅

SMILES:

Fc1ccc(NC(=O)COC(=O)c2ccc(O)cc2O)cc1

InChI:

InChI=1/C15H12FNO5/c16-9-1-3-10(4-2-9)17-14(20)8-22-15(21)12-6-5-11(18)7-13(12)19/h1-7,18-19H,8H2,(H,17,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.0215 kcal/mol

Physical Properties
Molecular Weight: 305.261 g/mol	logS: -3.33412	SlogP: 2.0324	Reactive groups: 0

Topological Properties
Globularity: 0.016036	Sterimol/B1: 2.10887	Sterimol/B2: 3.35448	Sterimol/B3: 3.51597
Sterimol/B4: 4.94607	Sterimol/L: 17.3385

Surface and Volume Properties
Accessible surface: 535.124	Positive charged surface: 306.681	Negative charged surface: 228.443	Volume: 262.75
Hydrophobic surface: 361.743	Hydrophilic surface: 173.381

Pharmacophoric Properties
Hydrogen bond donors: 3	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.