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MMsINC code: MMs02468684

Type: Neutral
Formula: C₁₈H₂₆O₂

SMILES:

O=C(C(C)(C)C)C(Cc1ccccc1)C(=O)C(C)(C)C

InChI:

InChI=1/C18H26O2/c1-17(2,3)15(19)14(16(20)18(4,5)6)12-13-10-8-7-9-11-13/h7-11,14H,12H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.0274 kcal/mol

Physical Properties
Molecular Weight: 274.404 g/mol	logS: -3.06443	SlogP: 4.07567	Reactive groups: 0

Topological Properties
Globularity: 0.204151	Sterimol/B1: 2.32298	Sterimol/B2: 3.18031	Sterimol/B3: 4.10646
Sterimol/B4: 7.87451	Sterimol/L: 13.2789

Surface and Volume Properties
Accessible surface: 495.128	Positive charged surface: 303.539	Negative charged surface: 191.589	Volume: 304.25
Hydrophobic surface: 373.84	Hydrophilic surface: 121.288

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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

MMs02468686
NCID-ZINC05500921