MMsINC Database Search


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MMsINC code: MMs01237856

Type: Neutral
Formula: C₁₆H₁₄FNO₃

SMILES:

Fc1ccccc1COC(=O)c1ccc(NC(=O)C)cc1

InChI:

InChI=1/C16H14FNO3/c1-11(19)18-14-8-6-12(7-9-14)16(20)21-10-13-4-2-3-5-15(13)17/h2-9H,10H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.4041 kcal/mol

Physical Properties
Molecular Weight: 287.29 g/mol	logS: -4.03894	SlogP: 3.4075	Reactive groups: 0

Topological Properties
Globularity: 0.00772683	Sterimol/B1: 2.54699	Sterimol/B2: 2.56403	Sterimol/B3: 3.08503
Sterimol/B4: 6.38303	Sterimol/L: 17.4608

Surface and Volume Properties
Accessible surface: 527.541	Positive charged surface: 287.131	Negative charged surface: 240.411	Volume: 266.375
Hydrophobic surface: 432.607	Hydrophilic surface: 94.934

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.