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MMsINC code: MMs02578935

Type: Neutral
Formula: C₂₃H₁₈ClNO₂

SMILES:

Clc1ccc(cc1)C=1Oc2c(cc(OC)cc2)/C(=N\Cc2ccccc2)/C=1

InChI:

InChI=1/C23H18ClNO2/c1-26-19-11-12-22-20(13-19)21(25-15-16-5-3-2-4-6-16)14-23(27-22)17-7-9-18(24)10-8-17/h2-14H,15H2,1H3/b25-21+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.972 kcal/mol

Physical Properties
Molecular Weight: 375.855 g/mol	logS: -7.19583	SlogP: 6.0378	Reactive groups: 0

Topological Properties
Globularity: 0.0712692	Sterimol/B1: 3.54312	Sterimol/B2: 4.17697	Sterimol/B3: 7.66594
Sterimol/B4: 7.78739	Sterimol/L: 15.9835

Surface and Volume Properties
Accessible surface: 651.751	Positive charged surface: 360.7	Negative charged surface: 291.052	Volume: 359.75
Hydrophobic surface: 622.017	Hydrophilic surface: 29.734

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

MMs02578936
OTAVA-ZINC01992584