MMsINC Database Search


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MMsINC code: MMs03326449

Type: Neutral
Formula: C₂₃H₂₂N₂O₃

SMILES:

O(Cc1ccccc1)c1ccc(cc1OC)\C=N\NC(=O)c1cc(ccc1)C

InChI:

InChI=1/C23H22N2O3/c1-17-7-6-10-20(13-17)23(26)25-24-15-19-11-12-21(22(14-19)27-2)28-16-18-8-4-3-5-9-18/h3-15H,16H2,1-2H3,(H,25,26)/b24-15+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.286 kcal/mol

Physical Properties
Molecular Weight: 374.44 g/mol	logS: -5.88073	SlogP: 4.61292	Reactive groups: 0

Topological Properties
Globularity: 0.0161252	Sterimol/B1: 2.3394	Sterimol/B2: 3.6155	Sterimol/B3: 3.62052
Sterimol/B4: 8.57975	Sterimol/L: 22.9347

Surface and Volume Properties
Accessible surface: 709.057	Positive charged surface: 434.32	Negative charged surface: 274.737	Volume: 375.75
Hydrophobic surface: 617.472	Hydrophilic surface: 91.585

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.