MMsINC Database Search


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MMsINC code: MMs01669009

Type: Neutral
Formula: C₁₉H₁₅FO₄

SMILES:

Fc1cc(ccc1)C(Oc1cc2OC(=O)C=C(c2cc1CC)C)=O

InChI:

InChI=1/C19H15FO4/c1-3-12-9-15-11(2)7-18(21)23-17(15)10-16(12)24-19(22)13-5-4-6-14(20)8-13/h4-10H,3H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.1857 kcal/mol

Physical Properties
Molecular Weight: 326.323 g/mol	logS: -6.18613	SlogP: 3.92957	Reactive groups: 0

Topological Properties
Globularity: 0.073801	Sterimol/B1: 2.35195	Sterimol/B2: 2.82814	Sterimol/B3: 4.68467
Sterimol/B4: 8.05467	Sterimol/L: 16.3591

Surface and Volume Properties
Accessible surface: 556.637	Positive charged surface: 291.175	Negative charged surface: 265.462	Volume: 298.5
Hydrophobic surface: 442.262	Hydrophilic surface: 114.375

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.