MMsINC Database Search


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MMsINC code: MMs00757514

Type: Neutral
Formula: C₁₆H₁₅FN₂O₄

SMILES:

Fc1ccc(cc1)C(O\N=C(\N)/c1cc(OC)c(OC)cc1)=O

InChI:

InChI=1/C16H15FN2O4/c1-21-13-8-5-11(9-14(13)22-2)15(18)19-23-16(20)10-3-6-12(17)7-4-10/h3-9H,1-2H3,(H2,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.781 kcal/mol

Physical Properties
Molecular Weight: 318.304 g/mol	logS: -4.32397	SlogP: 2.3202	Reactive groups: 0

Topological Properties
Globularity: 0.0041076	Sterimol/B1: 1.969	Sterimol/B2: 2.37405	Sterimol/B3: 2.38156
Sterimol/B4: 7.58336	Sterimol/L: 18.1211

Surface and Volume Properties
Accessible surface: 567.663	Positive charged surface: 357.503	Negative charged surface: 210.161	Volume: 282.875
Hydrophobic surface: 449.266	Hydrophilic surface: 118.397

Pharmacophoric Properties
Hydrogen bond donors: 1	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.