MMsINC Database Search


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MMsINC code: MMs03249668

Type: Neutral
Formula: C₂₄H₂₄O₂

SMILES:

O(C)c1cc2c(cc1OC)C(CC2(c1ccccc1)c1ccccc1)C

InChI:

InChI=1/C24H24O2/c1-17-16-24(18-10-6-4-7-11-18,19-12-8-5-9-13-19)21-15-23(26-3)22(25-2)14-20(17)21/h4-15,17H,16H2,1-3H3/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=140.675 kcal/mol

Physical Properties
Molecular Weight: 344.454 g/mol	logS: -6.6468	SlogP: 5.5454	Reactive groups: 0

Topological Properties
Globularity: 0.458488	Sterimol/B1: 2.27735	Sterimol/B2: 2.31663	Sterimol/B3: 7.89092
Sterimol/B4: 8.06187	Sterimol/L: 13.949

Surface and Volume Properties
Accessible surface: 595.176	Positive charged surface: 418.301	Negative charged surface: 176.874	Volume: 354.875
Hydrophobic surface: 557.872	Hydrophilic surface: 37.304

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.