MMsINC Database Search


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MMsINC code: MMs02154700

Type: Neutral
Formula: C₁₈H₁₈FNO₆

SMILES:

Fc1cc(ccc1)C(=O)Nc1c(OC)c(OC)c(OC)cc1C(OC)=O

InChI:

InChI=1/C18H18FNO6/c1-23-13-9-12(18(22)26-4)14(16(25-3)15(13)24-2)20-17(21)10-6-5-7-11(19)8-10/h5-9H,1-4H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.043 kcal/mol

Physical Properties
Molecular Weight: 363.341 g/mol	logS: -4.18272	SlogP: 2.8904	Reactive groups: 0

Topological Properties
Globularity: 0.109245	Sterimol/B1: 3.82728	Sterimol/B2: 4.00323	Sterimol/B3: 6.35004
Sterimol/B4: 6.55936	Sterimol/L: 16.3848

Surface and Volume Properties
Accessible surface: 614.977	Positive charged surface: 452.302	Negative charged surface: 162.676	Volume: 325
Hydrophobic surface: 546.044	Hydrophilic surface: 68.933

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.