MMsINC Database Search


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MMsINC code: MMs00119033

Type: Neutral
Formula: C₁₆H₁₆FNO₃

SMILES:

Fc1ccc(cc1)CNC(=O)c1cc(OC)cc(OC)c1

InChI:

InChI=1/C16H16FNO3/c1-20-14-7-12(8-15(9-14)21-2)16(19)18-10-11-3-5-13(17)6-4-11/h3-9H,10H2,1-2H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.4099 kcal/mol

Physical Properties
Molecular Weight: 289.306 g/mol	logS: -3.69465	SlogP: 3.0393	Reactive groups: 0

Topological Properties
Globularity: 0.0470232	Sterimol/B1: 3.57803	Sterimol/B2: 3.61796	Sterimol/B3: 3.62031
Sterimol/B4: 6.63617	Sterimol/L: 16.4828

Surface and Volume Properties
Accessible surface: 540.579	Positive charged surface: 350.878	Negative charged surface: 189.701	Volume: 271.5
Hydrophobic surface: 472.975	Hydrophilic surface: 67.604

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.