MMsINC Database Search


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MMsINC code: MMs01702892

Type: Neutral
Formula: C₁₉H₁₈FNO₄

SMILES:

Fc1cc(ccc1)C(OC(C(=O)N1CCOCC1)c1ccccc1)=O

InChI:

InChI=1/C19H18FNO4/c20-16-8-4-7-15(13-16)19(23)25-17(14-5-2-1-3-6-14)18(22)21-9-11-24-12-10-21/h1-8,13,17H,9-12H2/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.906 kcal/mol

Physical Properties
Molecular Weight: 343.354 g/mol	logS: -4.18755	SlogP: 2.6781	Reactive groups: 0

Topological Properties
Globularity: 0.138518	Sterimol/B1: 2.47929	Sterimol/B2: 3.36136	Sterimol/B3: 4.66782
Sterimol/B4: 8.47204	Sterimol/L: 15.5742

Surface and Volume Properties
Accessible surface: 572.354	Positive charged surface: 351.467	Negative charged surface: 220.887	Volume: 314.875
Hydrophobic surface: 502.208	Hydrophilic surface: 70.146

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.