MMsINC Database Search


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MMsINC code: MMs03918176

Type: Neutral
Formula: C₂₃H₁₉NO₂

SMILES:

o1c2c(nc1\C=C/c1ccc(OCC)cc1)cc(cc2)-c1ccccc1

InChI:

InChI=1/C23H19NO2/c1-2-25-20-12-8-17(9-13-20)10-15-23-24-21-16-19(11-14-22(21)26-23)18-6-4-3-5-7-18/h3-16H,2H2,1H3/b15-10-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.304 kcal/mol

Physical Properties
Molecular Weight: 341.41 g/mol	logS: -6.89796	SlogP: 6.0639	Reactive groups: 0

Topological Properties
Globularity: 0.0237258	Sterimol/B1: 2.11067	Sterimol/B2: 3.18011	Sterimol/B3: 3.4403
Sterimol/B4: 9.96204	Sterimol/L: 17.7018

Surface and Volume Properties
Accessible surface: 620.224	Positive charged surface: 352.67	Negative charged surface: 257.094	Volume: 343.375
Hydrophobic surface: 553.093	Hydrophilic surface: 67.131

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.