MMsINC Database Search


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MMsINC code: MMs03278283

Type: Neutral
Formula: C₂₄H₂₄O

SMILES:

o1c2c(ccc3c2cccc3)c(CCc2ccccc2)c1CCCC

InChI:

InChI=1/C24H24O/c1-2-3-13-23-21(16-14-18-9-5-4-6-10-18)22-17-15-19-11-7-8-12-20(19)24(22)25-23/h4-12,15,17H,2-3,13-14,16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.4759 kcal/mol

Physical Properties
Molecular Weight: 328.455 g/mol	logS: -8.43154	SlogP: 6.71371	Reactive groups: 0

Topological Properties
Globularity: 0.0522004	Sterimol/B1: 2.23406	Sterimol/B2: 2.32505	Sterimol/B3: 4.33844
Sterimol/B4: 11.2293	Sterimol/L: 17.0468

Surface and Volume Properties
Accessible surface: 625.225	Positive charged surface: 375.497	Negative charged surface: 235.1	Volume: 351.625
Hydrophobic surface: 597.42	Hydrophilic surface: 27.805

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