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MMsINC code: MMs01376945

Type: Neutral
Formula: C₁₆H₁₃F₂NO₃

SMILES:

FC(F)Oc1ccccc1NC(=O)\C=C(/O)\c1ccccc1

InChI:

InChI=1/C16H13F2NO3/c17-16(18)22-14-9-5-4-8-12(14)19-15(21)10-13(20)11-6-2-1-3-7-11/h1-10,16,20H,(H,19,21)/b13-10-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.3923 kcal/mol

Physical Properties
Molecular Weight: 305.28 g/mol	logS: -3.66902	SlogP: 4.2455	Reactive groups: 0

Topological Properties
Globularity: 0.0201813	Sterimol/B1: 2.68805	Sterimol/B2: 3.19313	Sterimol/B3: 4.31358
Sterimol/B4: 5.5994	Sterimol/L: 16.1425

Surface and Volume Properties
Accessible surface: 525.831	Positive charged surface: 274.468	Negative charged surface: 251.364	Volume: 266.75
Hydrophobic surface: 376.391	Hydrophilic surface: 149.44

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

MMs01376947 ENAMINE-ZINC03331402	MMs01376948 ENAMINE-ZINC03331402	MMs01376949 ENAMINE-ZINC03331402
MMs01376946 ENAMINE-ZINC03331402