MMsINC Database Search


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MMsINC code: MMs01177830

Type: Neutral
Formula: C₂₂H₁₈N₂O₂

SMILES:

o1c2c(cc1C(=O)N(Cc1ccccc1)Cc1ncccc1)cccc2

InChI:

InChI=1/C22H18N2O2/c25-22(21-14-18-10-4-5-12-20(18)26-21)24(15-17-8-2-1-3-9-17)16-19-11-6-7-13-23-19/h1-14H,15-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.4824 kcal/mol

Physical Properties
Molecular Weight: 342.398 g/mol	logS: -5.45385	SlogP: 5.2032	Reactive groups: 0

Topological Properties
Globularity: 0.117075	Sterimol/B1: 2.43137	Sterimol/B2: 3.0976	Sterimol/B3: 4.58616
Sterimol/B4: 9.26173	Sterimol/L: 15.3241

Surface and Volume Properties
Accessible surface: 592.358	Positive charged surface: 350.823	Negative charged surface: 236.162	Volume: 336
Hydrophobic surface: 548.204	Hydrophilic surface: 44.154

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.