MMsINC Database Search


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MMsINC code: MMs00106425

Type: Neutral
Formula: C₂₃H₁₉NO₂

SMILES:

o1c(ccc1C)-c1nc(cc(c1)-c1ccc(OC)cc1)-c1ccccc1

InChI:

InChI=1/C23H19NO2/c1-16-8-13-23(26-16)22-15-19(17-9-11-20(25-2)12-10-17)14-21(24-22)18-6-4-3-5-7-18/h3-15H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.793 kcal/mol

Physical Properties
Molecular Weight: 341.41 g/mol	logS: -7.2747	SlogP: 5.99262	Reactive groups: 0

Topological Properties
Globularity: 0.0049508	Sterimol/B1: 2.02782	Sterimol/B2: 2.37683	Sterimol/B3: 2.51216
Sterimol/B4: 13.188	Sterimol/L: 16.9017

Surface and Volume Properties
Accessible surface: 632.295	Positive charged surface: 346.778	Negative charged surface: 268.911	Volume: 345.5
Hydrophobic surface: 598.682	Hydrophilic surface: 33.613

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.