MMsINC Database Search


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MMsINC code: MMs00920168

Type: Neutral
Formula: C₁₈H₁₄F₂N₂O₄

SMILES:

Fc1cc(F)ccc1NC(=O)c1noc(c1)-c1cc(OC)ccc1OC

InChI:

InChI=1/C18H14F2N2O4/c1-24-11-4-6-16(25-2)12(8-11)17-9-15(22-26-17)18(23)21-14-5-3-10(19)7-13(14)20/h3-9H,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.528 kcal/mol

Physical Properties
Molecular Weight: 360.316 g/mol	logS: -5.24004	SlogP: 3.8893	Reactive groups: 0

Topological Properties
Globularity: 0.0144828	Sterimol/B1: 2.52156	Sterimol/B2: 2.95521	Sterimol/B3: 3.06846
Sterimol/B4: 8.58299	Sterimol/L: 18.6552

Surface and Volume Properties
Accessible surface: 604.154	Positive charged surface: 365.198	Negative charged surface: 238.956	Volume: 309.75
Hydrophobic surface: 513.797	Hydrophilic surface: 90.357

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.