MMsINC Database Search


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MMsINC code: MMs01506098

Type: Neutral
Formula: C₂₃H₂₂N₂O₃

SMILES:

O(c1cc(ccc1)C(=O)N(CC(=O)Nc1ccc(cc1)C)C)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.647 kcal/mol

Physical Properties
Molecular Weight: 374.44 g/mol	logS: -5.67808	SlogP: 4.49802	Reactive groups: 0

Topological Properties
Globularity: 0.181554	Sterimol/B1: 2.66879	Sterimol/B2: 4.38817	Sterimol/B3: 5.27917
Sterimol/B4: 7.74648	Sterimol/L: 14.7882

Surface and Volume Properties
Accessible surface: 619.316	Positive charged surface: 392.158	Negative charged surface: 227.159	Volume: 368.875
Hydrophobic surface: 555.531	Hydrophilic surface: 63.785

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

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Ions/Tautomers related molecules: no related molecules available.