MMsINC Database Search


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MMsINC code: MMs01355154

Type: Neutral
Formula: C₁₆H₁₂F₃NO₄

SMILES:

Fc1c(F)c(F)ccc1NC(=O)COC(=O)c1cccc(C)c1O

InChI:

InChI=1/C16H12F3NO4/c1-8-3-2-4-9(15(8)22)16(23)24-7-12(21)20-11-6-5-10(17)13(18)14(11)19/h2-6,22H,7H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.8021 kcal/mol

Physical Properties
Molecular Weight: 339.269 g/mol	logS: -4.4465	SlogP: 2.91342	Reactive groups: 0

Topological Properties
Globularity: 0.0122707	Sterimol/B1: 2.69454	Sterimol/B2: 2.74588	Sterimol/B3: 3.4727
Sterimol/B4: 5.05092	Sterimol/L: 18.1915

Surface and Volume Properties
Accessible surface: 553.316	Positive charged surface: 296.078	Negative charged surface: 257.238	Volume: 278.625
Hydrophobic surface: 441.363	Hydrophilic surface: 111.953

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.