MMsINC Database Search


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MMsINC code: MMs01321283

Type: Neutral
Formula: C₂₃H₁₇ClN₂O₂

SMILES:

Clc1ccc(cc1)C(=O)\N=C\1/N(Cc2c/1cccc2)c1cc(ccc1)C(=O)C

InChI:

InChI=1/C23H17ClN2O2/c1-15(27)17-6-4-7-20(13-17)26-14-18-5-2-3-8-21(18)22(26)25-23(28)16-9-11-19(24)12-10-16/h2-13H,14H2,1H3/b25-22-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.343 kcal/mol

Physical Properties
Molecular Weight: 388.854 g/mol	logS: -6.66782	SlogP: 5.4162	Reactive groups: 0

Topological Properties
Globularity: 0.0813258	Sterimol/B1: 2.33693	Sterimol/B2: 3.02464	Sterimol/B3: 3.97602
Sterimol/B4: 11.1981	Sterimol/L: 14.8353

Surface and Volume Properties
Accessible surface: 610.415	Positive charged surface: 318.968	Negative charged surface: 291.448	Volume: 359.625
Hydrophobic surface: 531.434	Hydrophilic surface: 78.981

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.