MMsINC Database Search


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MMsINC code: MMs02563883

Type: Neutral
Formula: C₂₃H₁₇FO₃

SMILES:

Fc1ccc(cc1)/C(/O)=C(/C(=O)C)\C1c2c(Oc3c1cccc3)cccc2

InChI:

InChI=1/C23H17FO3/c1-14(25)21(23(26)15-10-12-16(24)13-11-15)22-17-6-2-4-8-19(17)27-20-9-5-3-7-18(20)22/h2-13,22,26H,1H3/b23-21-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.5926 kcal/mol

Physical Properties
Molecular Weight: 360.384 g/mol	logS: -6.2024	SlogP: 5.6216	Reactive groups: 1

Topological Properties
Globularity: 0.194801	Sterimol/B1: 2.34758	Sterimol/B2: 4.87476	Sterimol/B3: 5.9538
Sterimol/B4: 7.3128	Sterimol/L: 13.8448

Surface and Volume Properties
Accessible surface: 563.208	Positive charged surface: 297.639	Negative charged surface: 265.569	Volume: 335.75
Hydrophobic surface: 508.079	Hydrophilic surface: 55.129

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02563884 OTAVA-ZINC01794572	MMs02563885 OTAVA-ZINC01794572	MMs02563886 OTAVA-ZINC01794572
MMs02563887 OTAVA-ZINC01794572