MMsINC Database Search


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MMsINC code: MMs01580780

Type: Neutral
Formula: C₁₉H₂₀FNO₅

SMILES:

Fc1ccc(cc1)C(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)13-6-8-14(20)9-7-13/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)=80.9231 kcal/mol

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

Topological Properties
Globularity: 0.0370369	Sterimol/B1: 3.1747	Sterimol/B2: 3.3864	Sterimol/B3: 4.74652
Sterimol/B4: 5.98299	Sterimol/L: 20.4703

Surface and Volume Properties
Accessible surface: 649.579	Positive charged surface: 366.687	Negative charged surface: 282.892	Volume: 335.125
Hydrophobic surface: 498.965	Hydrophilic surface: 150.614

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.