MMsINC Database Search


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MMsINC code: MMs01612451

Type: Neutral
Formula: C₂₃H₂₂N₂O₃

SMILES:

O(CC(=O)NCc1ccccc1)c1ccccc1C(=O)NCc1ccccc1

InChI:

InChI=1/C23H22N2O3/c26-22(24-15-18-9-3-1-4-10-18)17-28-21-14-8-7-13-20(21)23(27)25-16-19-11-5-2-6-12-19/h1-14H,15-17H2,(H,24,26)(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.4292 kcal/mol

Physical Properties
Molecular Weight: 374.44 g/mol	logS: -5.28976	SlogP: 3.8446	Reactive groups: 0

Topological Properties
Globularity: 0.0342422	Sterimol/B1: 2.98231	Sterimol/B2: 3.61673	Sterimol/B3: 3.62555
Sterimol/B4: 7.17051	Sterimol/L: 22.4845

Surface and Volume Properties
Accessible surface: 705.417	Positive charged surface: 422.519	Negative charged surface: 282.898	Volume: 371.5
Hydrophobic surface: 612.487	Hydrophilic surface: 92.93

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.