MMsINC Database Search


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MMsINC code: MMs00778423

Type: Neutral
Formula: C₂₃H₂₄O₄

SMILES:

O(c1cc(OCCCCOc2ccccc2OC)ccc1)c1ccccc1

InChI:

InChI=1/C23H24O4/c1-24-22-14-5-6-15-23(22)26-17-8-7-16-25-20-12-9-13-21(18-20)27-19-10-3-2-4-11-19/h2-6,9-15,18H,7-8,16-17H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.037 kcal/mol

Physical Properties
Molecular Weight: 364.441 g/mol	logS: -5.51661	SlogP: 5.7255	Reactive groups: 0

Topological Properties
Globularity: 0.0243027	Sterimol/B1: 3.03309	Sterimol/B2: 3.79641	Sterimol/B3: 4.06748
Sterimol/B4: 6.91052	Sterimol/L: 21.3023

Surface and Volume Properties
Accessible surface: 705.109	Positive charged surface: 461.624	Negative charged surface: 243.485	Volume: 368.25
Hydrophobic surface: 685.443	Hydrophilic surface: 19.666

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.