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MMsINC code: MMs02366105

Type: Neutral
Formula: C₁₈H₂₆O

SMILES:

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

InChI:

InChI=1/C18H26O/c1-7-16(19)13-11-15-14(10-12(13)2)17(3,4)8-9-18(15,5)6/h10-11H,7-9H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.8087 kcal/mol

Physical Properties
Molecular Weight: 258.405 g/mol	logS: -6.30996	SlogP: 4.93672	Reactive groups: 0

Topological Properties
Globularity: 0.118601	Sterimol/B1: 3.57979	Sterimol/B2: 3.64097	Sterimol/B3: 4.60764
Sterimol/B4: 6.0166	Sterimol/L: 13.1632

Surface and Volume Properties
Accessible surface: 499.006	Positive charged surface: 342.428	Negative charged surface: 156.578	Volume: 286.125
Hydrophobic surface: 387.278	Hydrophilic surface: 111.728

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.