MMsINC Database Search


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MMsINC code: MMs01302562

Type: Neutral
Formula: C₂₁H₁₈N₂O₃

SMILES:

O(Cc1ccccc1)c1cc(ccc1)\C=N\NC(=O)c1ccc(O)cc1

InChI:

InChI=1/C21H18N2O3/c24-19-11-9-18(10-12-19)21(25)23-22-14-17-7-4-8-20(13-17)26-15-16-5-2-1-3-6-16/h1-14,24H,15H2,(H,23,25)/b22-14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.062 kcal/mol

Physical Properties
Molecular Weight: 346.386 g/mol	logS: -4.99448	SlogP: 4.0015	Reactive groups: 0

Topological Properties
Globularity: 0.0172416	Sterimol/B1: 2.61223	Sterimol/B2: 3.61543	Sterimol/B3: 3.63887
Sterimol/B4: 7.30113	Sterimol/L: 21.9274

Surface and Volume Properties
Accessible surface: 653.947	Positive charged surface: 366.861	Negative charged surface: 287.086	Volume: 337.125
Hydrophobic surface: 516.325	Hydrophilic surface: 137.622

Pharmacophoric Properties
Hydrogen bond donors: 2	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.