MMsINC Database Search


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MMsINC code: MMs02297541

Type: Neutral
Formula: C₂₄H₂₄O

SMILES:

O=C(C(C(c1ccccc1)c1ccccc1)C(C)C)c1ccccc1

InChI:

InChI=1/C24H24O/c1-18(2)22(24(25)21-16-10-5-11-17-21)23(19-12-6-3-7-13-19)20-14-8-4-9-15-20/h3-18,22-23H,1-2H3/t22-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.034 kcal/mol

Physical Properties
Molecular Weight: 328.455 g/mol	logS: -6.27575	SlogP: 5.9736	Reactive groups: 0

Topological Properties
Globularity: 0.275449	Sterimol/B1: 2.53759	Sterimol/B2: 4.00799	Sterimol/B3: 4.68869
Sterimol/B4: 9.74074	Sterimol/L: 14.4929

Surface and Volume Properties
Accessible surface: 583.645	Positive charged surface: 334.374	Negative charged surface: 249.272	Volume: 351
Hydrophobic surface: 539.564	Hydrophilic surface: 44.081

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.