MMsINC Database Search


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MMsINC code: MMs00668540

Type: Neutral
Formula: C₂₂H₂₀N₂O₃

SMILES:

O(Cc1ccc(cc1)C(=O)Nc1ccccc1C(=O)N)c1ccc(cc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.515 kcal/mol

Physical Properties
Molecular Weight: 360.413 g/mol	logS: -5.89919	SlogP: 4.19162	Reactive groups: 0

Topological Properties
Globularity: 0.0236975	Sterimol/B1: 3.29008	Sterimol/B2: 3.41778	Sterimol/B3: 4.74882
Sterimol/B4: 5.08237	Sterimol/L: 21.2574

Surface and Volume Properties
Accessible surface: 650.318	Positive charged surface: 374.437	Negative charged surface: 275.881	Volume: 350.75
Hydrophobic surface: 518.661	Hydrophilic surface: 131.657

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.