MMsINC Database Search


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MMsINC code: MMs00094029

Type: Neutral
Formula: C₁₈H₁₅FN₂O₃

SMILES:

Fc1ccc(cc1)CNC(=O)C=1C(=O)N(c2c(cccc2)C=1O)C

InChI:

InChI=1/C18H15FN2O3/c1-21-14-5-3-2-4-13(14)16(22)15(18(21)24)17(23)20-10-11-6-8-12(19)9-7-11/h2-9,22H,10H2,1H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.4148 kcal/mol

Physical Properties
Molecular Weight: 326.327 g/mol	logS: -4.02832	SlogP: 2.654	Reactive groups: 0

Topological Properties
Globularity: 0.0843765	Sterimol/B1: 2.25721	Sterimol/B2: 3.48876	Sterimol/B3: 4.91546
Sterimol/B4: 7.392	Sterimol/L: 16.0573

Surface and Volume Properties
Accessible surface: 553.591	Positive charged surface: 315.516	Negative charged surface: 238.075	Volume: 296.125
Hydrophobic surface: 443.724	Hydrophilic surface: 109.867

Pharmacophoric Properties
Hydrogen bond donors: 2	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.