MMsINC Database Search


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MMsINC code: MMs00623281

Type: Neutral
Formula: C₁₇H₁₆FNO₅

SMILES:

Fc1ccc(cc1)C(=O)Nc1cc(OC)c(OC)cc1C(OC)=O

InChI:

InChI=1/C17H16FNO5/c1-22-14-8-12(17(21)24-3)13(9-15(14)23-2)19-16(20)10-4-6-11(18)7-5-10/h4-9H,1-3H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.769 kcal/mol

Physical Properties
Molecular Weight: 333.315 g/mol	logS: -4.13234	SlogP: 2.8818	Reactive groups: 0

Topological Properties
Globularity: 0.0305482	Sterimol/B1: 2.74072	Sterimol/B2: 2.94108	Sterimol/B3: 6.44897
Sterimol/B4: 6.87085	Sterimol/L: 16.6572

Surface and Volume Properties
Accessible surface: 574.559	Positive charged surface: 404.425	Negative charged surface: 170.133	Volume: 297.625
Hydrophobic surface: 501.063	Hydrophilic surface: 73.496

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.