MMsINC Database Search


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MMsINC code: MMs02306237

Type: Neutral
Formula: C₂₄H₂₆O

SMILES:

Oc1ccc(cc1)C(C(CC)c1ccc(cc1)-c1ccccc1)CC

InChI:

InChI=1/C24H26O/c1-3-23(24(4-2)21-14-16-22(25)17-15-21)20-12-10-19(11-13-20)18-8-6-5-7-9-18/h5-17,23-25H,3-4H2,1-2H3/t23-,24+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.0448 kcal/mol

Physical Properties
Molecular Weight: 330.471 g/mol	logS: -8.00149	SlogP: 6.7466	Reactive groups: 0

Topological Properties
Globularity: 0.0960115	Sterimol/B1: 2.26141	Sterimol/B2: 3.357	Sterimol/B3: 4.03824
Sterimol/B4: 8.41238	Sterimol/L: 19.0647

Surface and Volume Properties
Accessible surface: 618.179	Positive charged surface: 369.732	Negative charged surface: 237.344	Volume: 360
Hydrophobic surface: 526.898	Hydrophilic surface: 91.281

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.