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MMsINC code: MMs02990982

Type: Neutral
Formula: C₁₇H₂₄O

SMILES:

O=C(C)c1cc2c(cc1C)C(CCC2(C)C)(C)C

InChI:

InChI=1/C17H24O/c1-11-9-14-15(10-13(11)12(2)18)17(5,6)8-7-16(14,3)4/h9-10H,7-8H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.9794 kcal/mol

Physical Properties
Molecular Weight: 244.378 g/mol	logS: -6.10819	SlogP: 4.54662	Reactive groups: 0

Topological Properties
Globularity: 0.162259	Sterimol/B1: 2.35289	Sterimol/B2: 3.57774	Sterimol/B3: 3.58882
Sterimol/B4: 7.93573	Sterimol/L: 11.987

Surface and Volume Properties
Accessible surface: 467.897	Positive charged surface: 309.381	Negative charged surface: 158.515	Volume: 272
Hydrophobic surface: 371.201	Hydrophilic surface: 96.696

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.