MMsINC Database Search


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MMsINC code: MMs02251970

Type: Neutral
Formula: C₁₈H₃₀O

SMILES:

O(CCCC)c1ccc(cc1)C(CC(C)(C)C)(C)C

InChI:

InChI=1/C18H30O/c1-7-8-13-19-16-11-9-15(10-12-16)18(5,6)14-17(2,3)4/h9-12H,7-8,13-14H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=168.279 kcal/mol

Physical Properties
Molecular Weight: 262.437 g/mol	logS: -6.55992	SlogP: 5.5793	Reactive groups: 0

Topological Properties
Globularity: 0.0492911	Sterimol/B1: 3.54649	Sterimol/B2: 3.6055	Sterimol/B3: 3.89407
Sterimol/B4: 5.32828	Sterimol/L: 17.346

Surface and Volume Properties
Accessible surface: 549.433	Positive charged surface: 381.687	Negative charged surface: 167.746	Volume: 301.125
Hydrophobic surface: 445.92	Hydrophilic surface: 103.513

Pharmacophoric Properties
Hydrogen bond donors: 0	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.