MMsINC Database Search


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MMsINC code: MMs00959471

Type: Neutral
Formula: C₁₇H₁₃F₂NO₄

SMILES:

Fc1cc(F)ccc1NC(=O)C(=O)\C=C(/O)\c1ccc(OC)cc1

InChI:

InChI=1/C17H13F2NO4/c1-24-12-5-2-10(3-6-12)15(21)9-16(22)17(23)20-14-7-4-11(18)8-13(14)19/h2-9,21H,1H3,(H,20,23)/b15-9-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.4927 kcal/mol

Physical Properties
Molecular Weight: 333.29 g/mol	logS: -4.50646	SlogP: 3.0801	Reactive groups: 1

Topological Properties
Globularity: 0.00762681	Sterimol/B1: 2.48555	Sterimol/B2: 2.52666	Sterimol/B3: 2.74089
Sterimol/B4: 6.73944	Sterimol/L: 18.5612

Surface and Volume Properties
Accessible surface: 561.624	Positive charged surface: 307.105	Negative charged surface: 254.519	Volume: 286.375
Hydrophobic surface: 448.792	Hydrophilic surface: 112.832

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs00959474 CHEMDIV-ZINC04874814	MMs00959475 CHEMDIV-ZINC04874814	MMs00959472 CHEMDIV-ZINC04874814
MMs00959473 CHEMDIV-ZINC04874814