MMsINC Database Search


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MMsINC code: MMs00869683

Type: Neutral
Formula: C₁₉H₃₀O

SMILES:

O(CCCC)c1ccc(cc1)C1CCC(CC1)CCC

InChI:

InChI=1/C19H30O/c1-3-5-15-20-19-13-11-18(12-14-19)17-9-7-16(6-4-2)8-10-17/h11-14,16-17H,3-10,15H2,1-2H3/t16-,17-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.5123 kcal/mol

Physical Properties
Molecular Weight: 274.448 g/mol	logS: -6.9731	SlogP: 5.9394	Reactive groups: 0

Topological Properties
Globularity: 0.0355476	Sterimol/B1: 2.66025	Sterimol/B2: 3.603	Sterimol/B3: 3.86513
Sterimol/B4: 5.78344	Sterimol/L: 20.1175

Surface and Volume Properties
Accessible surface: 595.6	Positive charged surface: 448.069	Negative charged surface: 147.531	Volume: 315
Hydrophobic surface: 543.551	Hydrophilic surface: 52.049

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.