MMsINC Database Search


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MMsINC code: MMs01082922

Type: Neutral
Formula: C₂₆H₂₆O₂

SMILES:

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

InChI:

InChI=1/C26H26O2/c1-17(2)25(27)23-13-9-21(10-14-23)19-5-7-20(8-6-19)22-11-15-24(16-12-22)26(28)18(3)4/h5-18H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.306 kcal/mol

Physical Properties
Molecular Weight: 370.492 g/mol	logS: -7.66926	SlogP: 6.698	Reactive groups: 0

Topological Properties
Globularity: 0.0143442	Sterimol/B1: 2.50658	Sterimol/B2: 3.14493	Sterimol/B3: 4.14212
Sterimol/B4: 4.72766	Sterimol/L: 22.5532

Surface and Volume Properties
Accessible surface: 679.413	Positive charged surface: 363.179	Negative charged surface: 294.526	Volume: 389.375
Hydrophobic surface: 544.205	Hydrophilic surface: 135.208

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.