MMsINC Database Search


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MMsINC code: MMs00664870

Type: Neutral
Formula: C₁₈H₁₁FN₂O₅

SMILES:

Fc1ccc(cc1)C(Oc1ccc(cc1)C=C1C(=O)NC(=O)NC1=O)=O

InChI:

InChI=1/C18H11FN2O5/c19-12-5-3-11(4-6-12)17(24)26-13-7-1-10(2-8-13)9-14-15(22)20-18(25)21-16(14)23/h1-9H,(H2,20,21,22,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.5249 kcal/mol

Physical Properties
Molecular Weight: 354.293 g/mol	logS: -5.22014	SlogP: 1.7943	Reactive groups: 0

Topological Properties
Globularity: 0.0211613	Sterimol/B1: 2.26794	Sterimol/B2: 2.35929	Sterimol/B3: 3.85869
Sterimol/B4: 5.62464	Sterimol/L: 18.8231

Surface and Volume Properties
Accessible surface: 569.129	Positive charged surface: 291.757	Negative charged surface: 277.372	Volume: 296.625
Hydrophobic surface: 354.023	Hydrophilic surface: 215.106

Pharmacophoric Properties
Hydrogen bond donors: 2	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.