MMsINC Database Search


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MMsINC code: MMs03232289

Type: Neutral
Formula: C₂₆H₂₃O₂+

SMILES:

[o+]1c-2c(COc3c-2c2c(cc3)cccc2)c(cc1C(C)(C)C)-c1ccccc1

InChI:

InChI=1/C26H23O2/c1-26(2,3)23-15-20(17-9-5-4-6-10-17)21-16-27-22-14-13-18-11-7-8-12-19(18)24(22)25(21)28-23/h4-15H,16H2,1-3H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=147.507 kcal/mol

Physical Properties
Molecular Weight: 367.468 g/mol	logS: -9.0487	SlogP: 7.5042	Reactive groups: 0

Topological Properties
Globularity: 0.0680564	Sterimol/B1: 2.53215	Sterimol/B2: 3.48355	Sterimol/B3: 3.74571
Sterimol/B4: 10.1241	Sterimol/L: 16.5144

Surface and Volume Properties
Accessible surface: 609.263	Positive charged surface: 347.222	Negative charged surface: 241.422	Volume: 370.75
Hydrophobic surface: 533.551	Hydrophilic surface: 75.712

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 1
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: 0

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Ions/Tautomers related molecules: no related molecules available.