MMsINC Database Search


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MMsINC code: MMs03334327

Type: Neutral
Formula: C₁₈H₃₀O

SMILES:

Oc1c(cc(cc1CCCC)CCCC)CCCC

InChI:

InChI=1/C18H30O/c1-4-7-10-15-13-16(11-8-5-2)18(19)17(14-15)12-9-6-3/h13-14,19H,4-12H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.9497 kcal/mol

Physical Properties
Molecular Weight: 262.437 g/mol	logS: -6.45477	SlogP: 5.41991	Reactive groups: 0

Topological Properties
Globularity: 0.0910399	Sterimol/B1: 2.31736	Sterimol/B2: 2.38896	Sterimol/B3: 4.33914
Sterimol/B4: 11.8244	Sterimol/L: 15.2614

Surface and Volume Properties
Accessible surface: 601.048	Positive charged surface: 452.332	Negative charged surface: 148.715	Volume: 311.375
Hydrophobic surface: 504.067	Hydrophilic surface: 96.981

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.