MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02275067

Type: Neutral
Formula: C₂₆H₂₁NO₃

SMILES:

O(C)c1cc2c3c(ncc2cc1OC)c1cc(OCc2ccccc2)ccc1cc3

InChI:

InChI=1/C26H21NO3/c1-28-24-12-19-15-27-26-21(22(19)14-25(24)29-2)11-9-18-8-10-20(13-23(18)26)30-16-17-6-4-3-5-7-17/h3-15H,16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=146.008 kcal/mol

Physical Properties
Molecular Weight: 395.458 g/mol	logS: -7.64822	SlogP: 6.4038	Reactive groups: 0

Topological Properties
Globularity: 0.0196147	Sterimol/B1: 1.969	Sterimol/B2: 3.6152	Sterimol/B3: 3.62151
Sterimol/B4: 8.85358	Sterimol/L: 20.2687

Surface and Volume Properties
Accessible surface: 690.612	Positive charged surface: 448.605	Negative charged surface: 213.58	Volume: 387.375
Hydrophobic surface: 651.216	Hydrophilic surface: 39.396

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: 1	Oprea's lead like rule: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.