MMsINC Database Search


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MMsINC code: MMs00524490

Type: Neutral
Formula: C₂₂H₂₀N₂O₃

SMILES:

O(C)c1ccc(cc1)C(=O)CCNc1ccc(cc1)C(=O)c1ccncc1

InChI:

InChI=1/C22H20N2O3/c1-27-20-8-4-16(5-9-20)21(25)12-15-24-19-6-2-17(3-7-19)22(26)18-10-13-23-14-11-18/h2-11,13-14,24H,12,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.675 kcal/mol

Physical Properties
Molecular Weight: 360.413 g/mol	logS: -4.02756	SlogP: 4.0061	Reactive groups: 0

Topological Properties
Globularity: 0.00961996	Sterimol/B1: 2.78155	Sterimol/B2: 2.89305	Sterimol/B3: 4.39917
Sterimol/B4: 5.04152	Sterimol/L: 22.5936

Surface and Volume Properties
Accessible surface: 654.563	Positive charged surface: 431.6	Negative charged surface: 222.963	Volume: 353
Hydrophobic surface: 543.153	Hydrophilic surface: 111.41

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.