MMsINC Database Search


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MMsINC code: MMs02574893

Type: Neutral
Formula: C₂₄H₂₄O₂

SMILES:

O(C(=O)c1ccc(cc1)-c1ccccc1)Cc1ccc(cc1)C(C)(C)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.679 kcal/mol

Physical Properties
Molecular Weight: 344.454 g/mol	logS: -7.98047	SlogP: 6.2745	Reactive groups: 0

Topological Properties
Globularity: 0.0315621	Sterimol/B1: 2.89644	Sterimol/B2: 4.33973	Sterimol/B3: 4.9526
Sterimol/B4: 5.58729	Sterimol/L: 20.2814

Surface and Volume Properties
Accessible surface: 651.776	Positive charged surface: 365.786	Negative charged surface: 275.649	Volume: 363.25
Hydrophobic surface: 556.963	Hydrophilic surface: 94.813

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.