MMsINC Database Search


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MMsINC code: MMs02322395

Type: Neutral
Formula: C₂₆H₂₆O

SMILES:

o1c(c2c(cccc2)c1-c1c(cc(cc1C)C)C)-c1c(cc(cc1C)C)C

InChI:

InChI=1/C26H26O/c1-15-11-17(3)23(18(4)12-15)25-21-9-7-8-10-22(21)26(27-25)24-19(5)13-16(2)14-20(24)6/h7-14H,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.256 kcal/mol

Physical Properties
Molecular Weight: 354.493 g/mol	logS: -10.4953	SlogP: 7.61732	Reactive groups: 0

Topological Properties
Globularity: 0.146012	Sterimol/B1: 2.42796	Sterimol/B2: 4.29521	Sterimol/B3: 4.83255
Sterimol/B4: 8.12562	Sterimol/L: 17.3259

Surface and Volume Properties
Accessible surface: 635.889	Positive charged surface: 384.462	Negative charged surface: 249.728	Volume: 378.625
Hydrophobic surface: 635.682	Hydrophilic surface: 0.20699999999999

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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.