MMsINC Database Search


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MMsINC code: MMs02346817

Type: Neutral
Formula: C₂₀H₂₄O₂

SMILES:

O1CC2(CCCCC2)COC1(C)c1cc2c(cc1)cccc2

InChI:

InChI=1/C20H24O2/c1-19(18-10-9-16-7-3-4-8-17(16)13-18)21-14-20(15-22-19)11-5-2-6-12-20/h3-4,7-10,13H,2,5-6,11-12,14-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.1377 kcal/mol

Physical Properties
Molecular Weight: 296.41 g/mol	logS: -6.10254	SlogP: 5.3213	Reactive groups: 0

Topological Properties
Globularity: 0.112181	Sterimol/B1: 2.32883	Sterimol/B2: 2.42596	Sterimol/B3: 5.55406
Sterimol/B4: 5.58772	Sterimol/L: 16.2794

Surface and Volume Properties
Accessible surface: 532.413	Positive charged surface: 355.451	Negative charged surface: 166.605	Volume: 307.625
Hydrophobic surface: 514.287	Hydrophilic surface: 18.126

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