MMsINC Database Search


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MMsINC code: MMs03375508

Type: Neutral
Formula: C₂₀H₃₀O

SMILES:

Oc1cc2c(cc1C(C)(C)C)C1(CC2(C)C)CCCCC1

InChI:

InChI=1/C20H30O/c1-18(2,3)16-11-15-14(12-17(16)21)19(4,5)13-20(15)9-7-6-8-10-20/h11-12,21H,6-10,13H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.98 kcal/mol

Physical Properties
Molecular Weight: 286.459 g/mol	logS: -7.59458	SlogP: 5.5729	Reactive groups: 0

Topological Properties
Globularity: 0.153086	Sterimol/B1: 2.39591	Sterimol/B2: 3.04426	Sterimol/B3: 4.94138
Sterimol/B4: 7.22392	Sterimol/L: 12.9602

Surface and Volume Properties
Accessible surface: 529.19	Positive charged surface: 378.917	Negative charged surface: 150.273	Volume: 317.25
Hydrophobic surface: 412.35	Hydrophilic surface: 116.84

Pharmacophoric Properties
Hydrogen bond donors: 1	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.