MMsINC Database Search


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MMsINC code: MMs00760688

Type: Neutral
Formula: C₁₉H₁₄F₂O₅

SMILES:

Fc1cc(F)ccc1COc1cc2OC(=O)C(CC(O)=O)=C(c2cc1)C

InChI:

InChI=1/C19H14F2O5/c1-10-14-5-4-13(25-9-11-2-3-12(20)6-16(11)21)7-17(14)26-19(24)15(10)8-18(22)23/h2-7H,8-9H2,1H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.2141 kcal/mol

Physical Properties
Molecular Weight: 360.312 g/mol	logS: -5.39699	SlogP: 3.9774	Reactive groups: 0

Topological Properties
Globularity: 0.0188088	Sterimol/B1: 2.16999	Sterimol/B2: 2.34486	Sterimol/B3: 3.86563
Sterimol/B4: 6.47753	Sterimol/L: 19.2241

Surface and Volume Properties
Accessible surface: 575.049	Positive charged surface: 296.213	Negative charged surface: 278.836	Volume: 306.25
Hydrophobic surface: 426.67	Hydrophilic surface: 148.379

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

MMs00760689
CHEMBRIDGE-ZINC04045082