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MMsINC code: MMs01236277

Type: Neutral
Formula: C₂₄H₁₉ClN₂O₂

SMILES:

Clc1ccc(N2C(=O)/C(/c3c(cccc3)C2=O)=C\Nc2ccc(cc2C)C)cc1

InChI:

InChI=1/C24H19ClN2O2/c1-15-7-12-22(16(2)13-15)26-14-21-19-5-3-4-6-20(19)23(28)27(24(21)29)18-10-8-17(25)9-11-18/h3-14,26H,1-2H3/b21-14-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.624 kcal/mol

Physical Properties
Molecular Weight: 402.881 g/mol	logS: -7.00023	SlogP: 5.59684	Reactive groups: 0

Topological Properties
Globularity: 0.0327419	Sterimol/B1: 3.32889	Sterimol/B2: 3.64735	Sterimol/B3: 6.63966
Sterimol/B4: 7.68517	Sterimol/L: 16.9588

Surface and Volume Properties
Accessible surface: 656.628	Positive charged surface: 321.309	Negative charged surface: 335.319	Volume: 376.75
Hydrophobic surface: 613.075	Hydrophilic surface: 43.553

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs01236278
ENAMINE-ZINC00944013