MMsINC Database Search


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MMsINC code: MMs00745300

Type: Neutral
Formula: C₂₀H₂₀O₄

SMILES:

O(CCOc1cc2c(cc1)cccc2)c1c(OC)cccc1OC

InChI:

InChI=1/C20H20O4/c1-21-18-8-5-9-19(22-2)20(18)24-13-12-23-17-11-10-15-6-3-4-7-16(15)14-17/h3-11,14H,12-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.525 kcal/mol

Physical Properties
Molecular Weight: 324.376 g/mol	logS: -5.25862	SlogP: 4.3148	Reactive groups: 0

Topological Properties
Globularity: 0.0285434	Sterimol/B1: 2.09833	Sterimol/B2: 3.03491	Sterimol/B3: 3.56435
Sterimol/B4: 9.23731	Sterimol/L: 17.9717

Surface and Volume Properties
Accessible surface: 614.752	Positive charged surface: 429.861	Negative charged surface: 174.199	Volume: 321.125
Hydrophobic surface: 600.02	Hydrophilic surface: 14.732

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.