MMsINC Database Search


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MMsINC code: MMs01622261

Type: Neutral
Formula: C₂₃H₂₂N₂O₃

SMILES:

O(C)c1cc(ccc1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1

InChI:

InChI=1/C23H22N2O3/c1-28-19-11-7-10-18(16-19)22(26)25-21-13-6-5-12-20(21)23(27)24-15-14-17-8-3-2-4-9-17/h2-13,16H,14-15H2,1H3,(H,24,27)(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.988 kcal/mol

Physical Properties
Molecular Weight: 374.44 g/mol	logS: -5.38075	SlogP: 3.91997	Reactive groups: 0

Topological Properties
Globularity: 0.0359768	Sterimol/B1: 2.59211	Sterimol/B2: 3.1783	Sterimol/B3: 4.05332
Sterimol/B4: 10.4456	Sterimol/L: 18.8687

Surface and Volume Properties
Accessible surface: 679.165	Positive charged surface: 418.602	Negative charged surface: 260.563	Volume: 369.375
Hydrophobic surface: 607.431	Hydrophilic surface: 71.734

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.