MMsINC Database Search


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MMsINC code: MMs02427978

Type: Neutral
Formula: C₂₄H₂₀O₄

SMILES:

O(C(=O)c1ccccc1-c1ccccc1/C(/O)=C/C(=O)c1ccc(cc1)C)C

InChI:

InChI=1/C24H20O4/c1-16-11-13-17(14-12-16)22(25)15-23(26)20-9-5-3-7-18(20)19-8-4-6-10-21(19)24(27)28-2/h3-15,26H,1-2H3/b23-15-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.131 kcal/mol

Physical Properties
Molecular Weight: 372.42 g/mol	logS: -6.91962	SlogP: 5.23042	Reactive groups: 1

Topological Properties
Globularity: 0.168263	Sterimol/B1: 4.68235	Sterimol/B2: 4.9316	Sterimol/B3: 5.92164
Sterimol/B4: 6.18317	Sterimol/L: 15.5106

Surface and Volume Properties
Accessible surface: 617.315	Positive charged surface: 374.51	Negative charged surface: 241.844	Volume: 364.25
Hydrophobic surface: 551.79	Hydrophilic surface: 65.525

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs02427979 NCID-ZINC05012281	MMs02427981 NCID-ZINC05012281	MMs02427982 NCID-ZINC05012281
MMs02427980 NCID-ZINC05012281