MMsINC Database Search


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MMsINC code: MMs03232433

Type: Neutral
Formula: C₂₄H₂₆O₃

SMILES:

Oc1ccc(cc1C(C)(C)c1ccc(O)cc1)C(C)(C)c1ccc(O)cc1

InChI:

InChI=1/C24H26O3/c1-23(2,16-5-10-19(25)11-6-16)18-9-14-22(27)21(15-18)24(3,4)17-7-12-20(26)13-8-17/h5-15,25-27H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=156.52 kcal/mol

Physical Properties
Molecular Weight: 362.469 g/mol	logS: -6.27922	SlogP: 5.4552	Reactive groups: 0

Topological Properties
Globularity: 0.148745	Sterimol/B1: 2.38199	Sterimol/B2: 4.017	Sterimol/B3: 4.0224
Sterimol/B4: 7.6383	Sterimol/L: 16.4906

Surface and Volume Properties
Accessible surface: 608.445	Positive charged surface: 376.708	Negative charged surface: 231.737	Volume: 368.125
Hydrophobic surface: 420.396	Hydrophilic surface: 188.049

Pharmacophoric Properties
Hydrogen bond donors: 3	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: no related molecules available.