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MMsINC code: MMs02983449

Type: Neutral
Formula: C₁₈H₂₈O₂

SMILES:

OC(=O)C(CCCCc1ccccc1)CCCCCC

InChI:

InChI=1/C18H28O2/c1-2-3-4-8-14-17(18(19)20)15-10-9-13-16-11-6-5-7-12-16/h5-7,11-12,17H,2-4,8-10,13-15H2,1H3,(H,19,20)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.0492 kcal/mol

Physical Properties
Molecular Weight: 276.42 g/mol	logS: -5.6212	SlogP: 5.07057	Reactive groups: 0

Topological Properties
Globularity: 0.0313146	Sterimol/B1: 3.26631	Sterimol/B2: 3.59171	Sterimol/B3: 3.60353
Sterimol/B4: 5.3487	Sterimol/L: 20.8592

Surface and Volume Properties
Accessible surface: 604.608	Positive charged surface: 433.851	Negative charged surface: 170.757	Volume: 308.25
Hydrophobic surface: 507.718	Hydrophilic surface: 96.89

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules

MMs02983450
PUBCHEM-ZINC03033129