MMsINC Database Search


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MMsINC code: MMs00161861

Type: Neutral
Formula: C₂₃H₂₂N₂O₃

SMILES:

o1cccc1C(=O)N1CCN(CC1)C(=O)C(c1ccccc1)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.64 kcal/mol

Physical Properties
Molecular Weight: 374.44 g/mol	logS: -4.86384	SlogP: 3.3961	Reactive groups: 0

Topological Properties
Globularity: 0.10557	Sterimol/B1: 2.097	Sterimol/B2: 3.91847	Sterimol/B3: 4.43453
Sterimol/B4: 8.72735	Sterimol/L: 17.7227

Surface and Volume Properties
Accessible surface: 628.465	Positive charged surface: 377.5	Negative charged surface: 250.965	Volume: 363.5
Hydrophobic surface: 571.663	Hydrophilic surface: 56.802

Pharmacophoric Properties
Hydrogen bond donors: 0	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.