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MMsINC code: MMs03147484

Type: Neutral
Formula: C₁₉H₂₄O₂

SMILES:

OC1(CCC2C3C(=C4C(=CC(=O)CC4)CC3)C=CC12C)C

InChI:

InChI=1/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17-,18+,19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.1448 kcal/mol

Physical Properties
Molecular Weight: 284.399 g/mol	logS: -3.17063	SlogP: 3.7194	Reactive groups: 1

Topological Properties
Globularity: 0.149568	Sterimol/B1: 3.88151	Sterimol/B2: 4.19487	Sterimol/B3: 4.23065
Sterimol/B4: 4.37267	Sterimol/L: 14.5705

Surface and Volume Properties
Accessible surface: 491.048	Positive charged surface: 338.12	Negative charged surface: 152.928	Volume: 288.875
Hydrophobic surface: 374.494	Hydrophilic surface: 116.554

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 4

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.