MMsINC Database Search


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MMsINC code: MMs01342847

Type: Neutral
Formula: C₁₇H₁₅F₂NO₅

SMILES:

FC(F)Oc1ccccc1NC(=O)COC(=O)c1cccc(C)c1O

InChI:

InChI=1/C17H15F2NO5/c1-10-5-4-6-11(15(10)22)16(23)24-9-14(21)20-12-7-2-3-8-13(12)25-17(18)19/h2-8,17,22H,9H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.083 kcal/mol

Physical Properties
Molecular Weight: 351.305 g/mol	logS: -3.69581	SlogP: 3.51742	Reactive groups: 0

Topological Properties
Globularity: 0.0176597	Sterimol/B1: 3.12148	Sterimol/B2: 3.40703	Sterimol/B3: 4.09669
Sterimol/B4: 5.63196	Sterimol/L: 18.1517

Surface and Volume Properties
Accessible surface: 590.871	Positive charged surface: 338.328	Negative charged surface: 252.543	Volume: 300.625
Hydrophobic surface: 396.803	Hydrophilic surface: 194.068

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.