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MMsINC code: MMs01736425

Type: Neutral
Formula: C₂₂H₂₀N₂O₂

SMILES:

O=C(NCc1ccccc1)c1ccccc1NC(=O)Cc1ccccc1

InChI:

InChI=1/C22H20N2O2/c25-21(15-17-9-3-1-4-10-17)24-20-14-8-7-13-19(20)22(26)23-16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,23,26)(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.8143 kcal/mol

Physical Properties
Molecular Weight: 344.414 g/mol	logS: -5.33037	SlogP: 4.06417	Reactive groups: 0

Topological Properties
Globularity: 0.048494	Sterimol/B1: 2.85048	Sterimol/B2: 3.17961	Sterimol/B3: 4.28701
Sterimol/B4: 6.96338	Sterimol/L: 20.1146

Surface and Volume Properties
Accessible surface: 649.47	Positive charged surface: 379.479	Negative charged surface: 269.991	Volume: 344.625
Hydrophobic surface: 584.22	Hydrophilic surface: 65.25

Pharmacophoric Properties
Hydrogen bond donors: 2	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.