MMsINC Database Search


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MMsINC code: MMs01415904

Type: Neutral
Formula: C₁₇H₁₆FNO₃

SMILES:

Fc1ccccc1C(OCC(=O)Nc1cc(cc(c1)C)C)=O

InChI:

InChI=1/C17H16FNO3/c1-11-7-12(2)9-13(8-11)19-16(20)10-22-17(21)14-5-3-4-6-15(14)18/h3-9H,10H2,1-2H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.4102 kcal/mol

Physical Properties
Molecular Weight: 301.317 g/mol	logS: -5.00586	SlogP: 3.23804	Reactive groups: 0

Topological Properties
Globularity: 0.0226069	Sterimol/B1: 2.13598	Sterimol/B2: 2.75091	Sterimol/B3: 3.86205
Sterimol/B4: 6.22166	Sterimol/L: 17.7456

Surface and Volume Properties
Accessible surface: 562.691	Positive charged surface: 330.678	Negative charged surface: 232.014	Volume: 285.125
Hydrophobic surface: 481.891	Hydrophilic surface: 80.8

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.