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MMsINC code: MMs01314803

Type: Neutral
Formula: C₂₂H₁₅ClN₂O₂

SMILES:

Clc1cc(N2C(=O)/C(/c3c(cccc3)C2=O)=C\Nc2ccccc2)ccc1

InChI:

InChI=1/C22H15ClN2O2/c23-15-7-6-10-17(13-15)25-21(26)19-12-5-4-11-18(19)20(22(25)27)14-24-16-8-2-1-3-9-16/h1-14,24H/b20-14-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.829 kcal/mol

Physical Properties
Molecular Weight: 374.827 g/mol	logS: -6.36584	SlogP: 4.98	Reactive groups: 0

Topological Properties
Globularity: 0.0429157	Sterimol/B1: 3.73155	Sterimol/B2: 3.81527	Sterimol/B3: 4.28567
Sterimol/B4: 8.90325	Sterimol/L: 16.3558

Surface and Volume Properties
Accessible surface: 614.61	Positive charged surface: 274.018	Negative charged surface: 340.592	Volume: 342.875
Hydrophobic surface: 562.664	Hydrophilic surface: 51.946

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs01314804
ENAMINE-ZINC03223588