MMsINC Database Search


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MMsINC code: MMs01483905

Type: Neutral
Formula: C₁₆H₁₄FNO₄

SMILES:

Fc1cc(NC(=O)COC(=O)c2ccccc2O)c(cc1)C

InChI:

InChI=1/C16H14FNO4/c1-10-6-7-11(17)8-13(10)18-15(20)9-22-16(21)12-4-2-3-5-14(12)19/h2-8,19H,9H2,1H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.9643 kcal/mol

Physical Properties
Molecular Weight: 303.289 g/mol	logS: -3.85654	SlogP: 2.63522	Reactive groups: 0

Topological Properties
Globularity: 0.0152236	Sterimol/B1: 2.0734	Sterimol/B2: 2.21629	Sterimol/B3: 3.27204
Sterimol/B4: 6.92437	Sterimol/L: 16.8537

Surface and Volume Properties
Accessible surface: 541.173	Positive charged surface: 308.343	Negative charged surface: 232.83	Volume: 271.375
Hydrophobic surface: 430.587	Hydrophilic surface: 110.586

Pharmacophoric Properties
Hydrogen bond donors: 2	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.