MMsINC Database Search


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MMsINC code: MMs00117558

Type: Neutral
Formula: C₁₆H₁₄FNO₃

SMILES:

Fc1ccc(cc1)CC(=O)NCc1cc2OCOc2cc1

InChI:

InChI=1/C16H14FNO3/c17-13-4-1-11(2-5-13)8-16(19)18-9-12-3-6-14-15(7-12)21-10-20-14/h1-7H,8-10H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.6143 kcal/mol

Physical Properties
Molecular Weight: 287.29 g/mol	logS: -3.61046	SlogP: 2.67967	Reactive groups: 0

Topological Properties
Globularity: 0.0324724	Sterimol/B1: 2.77679	Sterimol/B2: 3.0383	Sterimol/B3: 3.64067
Sterimol/B4: 4.88822	Sterimol/L: 17.7836

Surface and Volume Properties
Accessible surface: 526.948	Positive charged surface: 326.794	Negative charged surface: 200.155	Volume: 263.25
Hydrophobic surface: 422.833	Hydrophilic surface: 104.115

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.