MMsINC Database Search


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MMsINC code: MMs03334325

Type: Neutral
Formula: C₁₈H₃₀O

SMILES:

Oc1c(cc(cc1C(C)(C)C)CCCC)C(C)(C)C

InChI:

InChI=1/C18H30O/c1-8-9-10-13-11-14(17(2,3)4)16(19)15(12-13)18(5,6)7/h11-12,19H,8-10H2,1-7H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.5366 kcal/mol

Physical Properties
Molecular Weight: 262.437 g/mol	logS: -6.45477	SlogP: 5.32977	Reactive groups: 0

Topological Properties
Globularity: 0.136989	Sterimol/B1: 2.76551	Sterimol/B2: 4.31311	Sterimol/B3: 6.09808
Sterimol/B4: 6.09848	Sterimol/L: 13.3049

Surface and Volume Properties
Accessible surface: 541.822	Positive charged surface: 385.306	Negative charged surface: 156.516	Volume: 306.625
Hydrophobic surface: 407.463	Hydrophilic surface: 134.359

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.