MMsINC Database Search


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MMsINC code: MMs02695242

Type: Neutral
Formula: C₁₈H₁₃FO₄

SMILES:

Fc1ccc(cc1)C(Oc1cc2c(oc(C)c2C(=O)C)cc1)=O

InChI:

InChI=1/C18H13FO4/c1-10(20)17-11(2)22-16-8-7-14(9-15(16)17)23-18(21)12-3-5-13(19)6-4-12/h3-9H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.2559 kcal/mol

Physical Properties
Molecular Weight: 312.296 g/mol	logS: -5.86491	SlogP: 4.30212	Reactive groups: 0

Topological Properties
Globularity: 0.061507	Sterimol/B1: 3.16223	Sterimol/B2: 4.22932	Sterimol/B3: 4.8865
Sterimol/B4: 5.37649	Sterimol/L: 16.9126

Surface and Volume Properties
Accessible surface: 549.148	Positive charged surface: 275.546	Negative charged surface: 269.486	Volume: 283.25
Hydrophobic surface: 470.892	Hydrophilic surface: 78.256

Pharmacophoric Properties
Hydrogen bond donors: 0	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.