MMsINC Database Search


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MMsINC code: MMs00008093

Type: Neutral
Formula: C₂₃H₂₄O₄

SMILES:

O(C)c1cc(OC)ccc1C(O)c1ccc(OCc2ccc(cc2)C)cc1

InChI:

InChI=1/C23H24O4/c1-16-4-6-17(7-5-16)15-27-19-10-8-18(9-11-19)23(24)21-13-12-20(25-2)14-22(21)26-3/h4-14,23-24H,15H2,1-3H3/t23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.612 kcal/mol

Physical Properties
Molecular Weight: 364.441 g/mol	logS: -5.31676	SlogP: 5.03482	Reactive groups: 0

Topological Properties
Globularity: 0.0924981	Sterimol/B1: 3.43806	Sterimol/B2: 4.65474	Sterimol/B3: 5.50764
Sterimol/B4: 5.83679	Sterimol/L: 19.2569

Surface and Volume Properties
Accessible surface: 665.765	Positive charged surface: 440.645	Negative charged surface: 225.12	Volume: 365.75
Hydrophobic surface: 608.827	Hydrophilic surface: 56.938

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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: 1

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Ions/Tautomers related molecules: no related molecules available.