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MMsINC code: MMs01826886

Type: Neutral
Formula: C₂₄H₂₄O₃

SMILES:

O1c2c(cc3c(occ3-c3ccccc3)c2)C(C)=C(CCCCCC)C1=O

InChI:

InChI=1/C24H24O3/c1-3-4-5-9-12-18-16(2)19-13-20-21(17-10-7-6-8-11-17)15-26-22(20)14-23(19)27-24(18)25/h6-8,10-11,13-15H,3-5,9,12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.308 kcal/mol

Physical Properties
Molecular Weight: 360.453 g/mol	logS: -9.56616	SlogP: 6.7627	Reactive groups: 0

Topological Properties
Globularity: 0.0404988	Sterimol/B1: 2.13778	Sterimol/B2: 3.99947	Sterimol/B3: 4.90824
Sterimol/B4: 7.45904	Sterimol/L: 19.5548

Surface and Volume Properties
Accessible surface: 652.535	Positive charged surface: 395.165	Negative charged surface: 253.124	Volume: 368.75
Hydrophobic surface: 562.71	Hydrophilic surface: 89.825

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.