MMsINC Database Search


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MMsINC code: MMs00056818

Type: Neutral
Formula: C₂₄H₂₆O₂

SMILES:

Oc1c(cc(cc1C)C(C)(c1cc(C)c(O)c(c1)C)c1ccccc1)C

InChI:

InChI=1/C24H26O2/c1-15-11-20(12-16(2)22(15)25)24(5,19-9-7-6-8-10-19)21-13-17(3)23(26)18(4)14-21/h6-14,25-26H,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.996 kcal/mol

Physical Properties
Molecular Weight: 346.47 g/mol	logS: -5.57692	SlogP: 5.68578	Reactive groups: 0

Topological Properties
Globularity: 0.3018	Sterimol/B1: 3.7367	Sterimol/B2: 5.49663	Sterimol/B3: 5.55175
Sterimol/B4: 7.08191	Sterimol/L: 13.9811

Surface and Volume Properties
Accessible surface: 610.376	Positive charged surface: 396.671	Negative charged surface: 213.705	Volume: 361.75
Hydrophobic surface: 522.647	Hydrophilic surface: 87.729

Pharmacophoric Properties
Hydrogen bond donors: 2	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.