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MMsINC code: MMs02627816

Type: Neutral
Formula: C₁₈H₁₈FNO₃

SMILES:

Fc1ccc(NC(=O)CC(C(C)c2ccccc2)C(O)=O)cc1

InChI:

InChI=1/C18H18FNO3/c1-12(13-5-3-2-4-6-13)16(18(22)23)11-17(21)20-15-9-7-14(19)8-10-15/h2-10,12,16H,11H2,1H3,(H,20,21)(H,22,23)/t12-,16+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.1141 kcal/mol

Physical Properties
Molecular Weight: 315.344 g/mol	logS: -3.86078	SlogP: 3.6588	Reactive groups: 0

Topological Properties
Globularity: 0.0838127	Sterimol/B1: 2.15784	Sterimol/B2: 2.26417	Sterimol/B3: 5.48945
Sterimol/B4: 5.86149	Sterimol/L: 16.7995

Surface and Volume Properties
Accessible surface: 555.187	Positive charged surface: 325.281	Negative charged surface: 229.906	Volume: 296.75
Hydrophobic surface: 443.224	Hydrophilic surface: 111.963

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs02627817
PUBCHEM-ZINC00032289