MMsINC Database Search


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MMsINC code: MMs00707926

Type: Neutral
Formula: C₂₆H₂₄O₄

SMILES:

O1c2c(C(C)=C(Cc3ccccc3)C1=O)c(OCc1ccccc1OC)cc(c2)C

InChI:

InChI=1/C26H24O4/c1-17-13-23(29-16-20-11-7-8-12-22(20)28-3)25-18(2)21(26(27)30-24(25)14-17)15-19-9-5-4-6-10-19/h4-14H,15-16H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.714 kcal/mol

Physical Properties
Molecular Weight: 400.474 g/mol	logS: -7.28294	SlogP: 5.78419	Reactive groups: 0

Topological Properties
Globularity: 0.0780497	Sterimol/B1: 2.36363	Sterimol/B2: 3.75085	Sterimol/B3: 4.24745
Sterimol/B4: 11.2155	Sterimol/L: 17.1284

Surface and Volume Properties
Accessible surface: 667.343	Positive charged surface: 421.603	Negative charged surface: 245.739	Volume: 394.875
Hydrophobic surface: 612.486	Hydrophilic surface: 54.857

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.