MMsINC Database Search


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MMsINC code: MMs02253868

Type: Neutral
Formula: C₁₉H₃₀O

SMILES:

O(Cc1ccc(cc1)C(CC(C)(C)C)(C)C)CC(C)=C

InChI:

InChI=1/C19H30O/c1-15(2)12-20-13-16-8-10-17(11-9-16)19(6,7)14-18(3,4)5/h8-11H,1,12-14H2,2-7H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=175.317 kcal/mol

Physical Properties
Molecular Weight: 274.448 g/mol	logS: -6.09472	SlogP: 5.7595	Reactive groups: 0

Topological Properties
Globularity: 0.0762801	Sterimol/B1: 3.49307	Sterimol/B2: 3.65987	Sterimol/B3: 3.88184
Sterimol/B4: 4.89227	Sterimol/L: 17.3476

Surface and Volume Properties
Accessible surface: 566.56	Positive charged surface: 377.72	Negative charged surface: 188.839	Volume: 315.375
Hydrophobic surface: 439.191	Hydrophilic surface: 127.369

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.