MMsINC Database Search


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MMsINC code: MMs01245997

Type: Neutral
Formula: C₁₉H₁₄FNO₃

SMILES:

Fc1ccccc1NC(=O)COC(=O)c1c2c(ccc1)cccc2

InChI:

InChI=1/C19H14FNO3/c20-16-10-3-4-11-17(16)21-18(22)12-24-19(23)15-9-5-7-13-6-1-2-8-14(13)15/h1-11H,12H2,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.607 kcal/mol

Physical Properties
Molecular Weight: 323.323 g/mol	logS: -5.9359	SlogP: 3.7744	Reactive groups: 0

Topological Properties
Globularity: 0.009498	Sterimol/B1: 2.66962	Sterimol/B2: 2.69286	Sterimol/B3: 3.44591
Sterimol/B4: 6.14744	Sterimol/L: 18.5662

Surface and Volume Properties
Accessible surface: 574.637	Positive charged surface: 302.244	Negative charged surface: 261.321	Volume: 294.625
Hydrophobic surface: 501.652	Hydrophilic surface: 72.985

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.