MMsINC Database Search


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MMsINC code: MMs01704576

Type: Neutral
Formula: C₁₉H₁₈FNO₄

SMILES:

Fc1ccccc1C(OC(C(=O)N1CCOCC1)c1ccccc1)=O

InChI:

InChI=1/C19H18FNO4/c20-16-9-5-4-8-15(16)19(23)25-17(14-6-2-1-3-7-14)18(22)21-10-12-24-13-11-21/h1-9,17H,10-13H2/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.785 kcal/mol

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

Topological Properties
Globularity: 0.156953	Sterimol/B1: 2.54649	Sterimol/B2: 3.3501	Sterimol/B3: 4.56804
Sterimol/B4: 9.12252	Sterimol/L: 15.0987

Surface and Volume Properties
Accessible surface: 578.799	Positive charged surface: 356.651	Negative charged surface: 222.148	Volume: 314
Hydrophobic surface: 512.107	Hydrophilic surface: 66.692

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.