MMsINC Database Search


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MMsINC code: MMs02755460

Type: Neutral
Formula: C₂₂H₂₀N₂O₂

SMILES:

O=C(Nc1cc(ccc1)C(=O)Nc1cc(ccc1)C)c1ccccc1C

InChI:

InChI=1/C22H20N2O2/c1-15-7-5-10-18(13-15)23-21(25)17-9-6-11-19(14-17)24-22(26)20-12-4-3-8-16(20)2/h3-14H,1-2H3,(H,23,25)(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.919 kcal/mol

Physical Properties
Molecular Weight: 344.414 g/mol	logS: -6.2727	SlogP: 4.80804	Reactive groups: 0

Topological Properties
Globularity: 0.030637	Sterimol/B1: 2.5957	Sterimol/B2: 4.40782	Sterimol/B3: 4.70412
Sterimol/B4: 6.70135	Sterimol/L: 19.7454

Surface and Volume Properties
Accessible surface: 636.711	Positive charged surface: 358.758	Negative charged surface: 277.953	Volume: 342.625
Hydrophobic surface: 574.34	Hydrophilic surface: 62.371

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.