MMsINC Database Search


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MMsINC code: MMs03398127

Type: Neutral
Formula: C₁₈H₃₀O₂

SMILES:

O(CCO)c1ccc(cc1C(CC)(C)C)C(CC)(C)C

InChI:

InChI=1/C18H30O2/c1-7-17(3,4)14-9-10-16(20-12-11-19)15(13-14)18(5,6)8-2/h9-10,13,19H,7-8,11-12H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.634 kcal/mol

Physical Properties
Molecular Weight: 278.436 g/mol	logS: -5.98887	SlogP: 4.4329	Reactive groups: 0

Topological Properties
Globularity: 0.0946833	Sterimol/B1: 3.47467	Sterimol/B2: 3.92636	Sterimol/B3: 4.43355
Sterimol/B4: 5.98689	Sterimol/L: 14.5179

Surface and Volume Properties
Accessible surface: 547.345	Positive charged surface: 390.605	Negative charged surface: 156.741	Volume: 312.5
Hydrophobic surface: 393.435	Hydrophilic surface: 153.91

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.