MMsINC Database Search


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MMsINC code: MMs01588264

Type: Neutral
Formula: C₁₉H₂₀FNO₅

SMILES:

Fc1ccccc1C(OC(C(=O)c1[nH]c(C)c(C(OCC)=O)c1C)C)=O

InChI:

InChI=1/C19H20FNO5/c1-5-25-19(24)15-10(2)16(21-11(15)3)17(22)12(4)26-18(23)13-8-6-7-9-14(13)20/h6-9,12,21H,5H2,1-4H3/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.1872 kcal/mol

Physical Properties
Molecular Weight: 361.369 g/mol	logS: -4.26699	SlogP: 3.37554	Reactive groups: 0

Topological Properties
Globularity: 0.0372389	Sterimol/B1: 3.18039	Sterimol/B2: 3.42358	Sterimol/B3: 4.74308
Sterimol/B4: 5.97458	Sterimol/L: 20.213

Surface and Volume Properties
Accessible surface: 644.472	Positive charged surface: 371.949	Negative charged surface: 272.522	Volume: 333.75
Hydrophobic surface: 495.695	Hydrophilic surface: 148.777

Pharmacophoric Properties
Hydrogen bond donors: 1	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.