MMsINC Database Search


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MMsINC code: MMs02156057

Type: Neutral
Formula: C₁₈H₂₂O

SMILES:

OC(c1c(C)c(C)c(C)c(C)c1C)c1ccccc1

InChI:

InChI=1/C18H22O/c1-11-12(2)14(4)17(15(5)13(11)3)18(19)16-9-7-6-8-10-16/h6-10,18-19H,1-5H3/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.773 kcal/mol

Physical Properties
Molecular Weight: 254.373 g/mol	logS: -5.2934	SlogP: 4.4059	Reactive groups: 0

Topological Properties
Globularity: 0.137834	Sterimol/B1: 3.38634	Sterimol/B2: 3.92435	Sterimol/B3: 3.96231
Sterimol/B4: 6.32378	Sterimol/L: 12.8697

Surface and Volume Properties
Accessible surface: 475.545	Positive charged surface: 287.089	Negative charged surface: 188.457	Volume: 274.75
Hydrophobic surface: 450.697	Hydrophilic surface: 24.848

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.