MMsINC Database Search


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MMsINC code: MMs02583132

Type: Neutral
Formula: C₂₃H₂₂N₂O₃

SMILES:

O(CC)c1cc(ccc1)C(NC(=O)c1ccccc1)NC(=O)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.0679 kcal/mol

Physical Properties
Molecular Weight: 374.44 g/mol	logS: -5.4977	SlogP: 4.0394	Reactive groups: 0

Topological Properties
Globularity: 0.0874365	Sterimol/B1: 3.90901	Sterimol/B2: 3.9531	Sterimol/B3: 4.24892
Sterimol/B4: 10.1368	Sterimol/L: 17.7407

Surface and Volume Properties
Accessible surface: 682.662	Positive charged surface: 381.087	Negative charged surface: 301.575	Volume: 370.125
Hydrophobic surface: 592.216	Hydrophilic surface: 90.446

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.