MMsINC Database Search


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MMsINC code: MMs00867046

Type: Neutral
Formula: C₁₈H₂₆O

SMILES:

Oc1cc(cc(c1)C1CCCCC1)C1CCCCC1

InChI:

InChI=1/C18H26O/c19-18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15/h11-15,19H,1-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.7816 kcal/mol

Physical Properties
Molecular Weight: 258.405 g/mol	logS: -6.91889	SlogP: 5.4876	Reactive groups: 0

Topological Properties
Globularity: 0.0970505	Sterimol/B1: 3.18544	Sterimol/B2: 3.60724	Sterimol/B3: 3.63095
Sterimol/B4: 5.90683	Sterimol/L: 15.7207

Surface and Volume Properties
Accessible surface: 520.162	Positive charged surface: 403.451	Negative charged surface: 116.711	Volume: 285
Hydrophobic surface: 467.956	Hydrophilic surface: 52.206

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.