MMsINC Database Search


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MMsINC code: MMs01895419

Type: Neutral
Formula: C₂₆H₂₂O₄

SMILES:

O=C(C(=O)c1ccccc1)c1c(C)c(C)c(C(=O)C(=O)c2ccccc2)c(C)c1C

InChI:

InChI=1/C26H22O4/c1-15-16(2)22(26(30)24(28)20-13-9-6-10-14-20)18(4)17(3)21(15)25(29)23(27)19-11-7-5-8-12-19/h5-14H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=154.507 kcal/mol

Physical Properties
Molecular Weight: 398.458 g/mol	logS: -8.08888	SlogP: 5.05148	Reactive groups: 1

Topological Properties
Globularity: 0.0926909	Sterimol/B1: 1.969	Sterimol/B2: 3.13025	Sterimol/B3: 5.15588
Sterimol/B4: 7.69676	Sterimol/L: 19.2893

Surface and Volume Properties
Accessible surface: 643.892	Positive charged surface: 320.179	Negative charged surface: 323.713	Volume: 389.5
Hydrophobic surface: 542.289	Hydrophilic surface: 101.603

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.