MMsINC Database Search


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MMsINC code: MMs02906601

Type: Neutral
Formula: C₂₆H₃₆O₃

SMILES:

O(C(=O)CCCOc1ccc(cc1)C(CC)(C)C)c1ccc(cc1C(C)(C)C)C

InChI:

InChI=1/C26H36O3/c1-8-26(6,7)20-12-14-21(15-13-20)28-17-9-10-24(27)29-23-16-11-19(2)18-22(23)25(3,4)5/h11-16,18H,8-10,17H2,1-7H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.348 kcal/mol

Physical Properties
Molecular Weight: 396.571 g/mol	logS: -8.3743	SlogP: 6.74472	Reactive groups: 0

Topological Properties
Globularity: 0.0339466	Sterimol/B1: 2.34169	Sterimol/B2: 3.79327	Sterimol/B3: 5.06091
Sterimol/B4: 5.88144	Sterimol/L: 22.272

Surface and Volume Properties
Accessible surface: 735.161	Positive charged surface: 489.816	Negative charged surface: 245.345	Volume: 428.375
Hydrophobic surface: 610.358	Hydrophilic surface: 124.803

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.