MMsINC Database Search


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MMsINC code: MMs00733438

Type: Neutral
Formula: C₂₃H₂₀O₂

SMILES:

O(CCCOc1c2c(ccc1)cccc2)c1c2c(ccc1)cccc2

InChI:

InChI=1/C23H20O2/c1-3-12-20-18(8-1)10-5-14-22(20)24-16-7-17-25-23-15-6-11-19-9-2-4-13-21(19)23/h1-6,8-15H,7,16-17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.7152 kcal/mol

Physical Properties
Molecular Weight: 328.411 g/mol	logS: -7.23751	SlogP: 5.8409	Reactive groups: 0

Topological Properties
Globularity: 0.00406037	Sterimol/B1: 2.37578	Sterimol/B2: 2.37835	Sterimol/B3: 3.23161
Sterimol/B4: 6.76671	Sterimol/L: 19.377

Surface and Volume Properties
Accessible surface: 628.378	Positive charged surface: 354.111	Negative charged surface: 252.125	Volume: 336.5
Hydrophobic surface: 624.919	Hydrophilic surface: 3.4590000000001

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.