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MMsINC code: MMs01344304

Type: Tautomer
Formula: C₂₄H₁₉ClN₂O₂

SMILES:

Clc1ccccc1N1C(=O)/C(/c2c(cccc2)C1=O)=C/Nc1cc(C)c(cc1)C

InChI:

InChI=1/C24H19ClN2O2/c1-15-11-12-17(13-16(15)2)26-14-20-18-7-3-4-8-19(18)23(28)27(24(20)29)22-10-6-5-9-21(22)25/h3-14,26H,1-2H3/b20-14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=174.014 kcal/mol

Physical Properties
Molecular Weight: 402.881 g/mol	logS: -7.31368	SlogP: 5.59684	Reactive groups: 0

Topological Properties
Globularity: 0.0428646	Sterimol/B1: 2.53418	Sterimol/B2: 4.24744	Sterimol/B3: 4.33397
Sterimol/B4: 8.9679	Sterimol/L: 17.9163

Surface and Volume Properties
Accessible surface: 651.906	Positive charged surface: 313.899	Negative charged surface: 338.008	Volume: 374.125
Hydrophobic surface: 596.211	Hydrophilic surface: 55.695

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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Parent related molecule:

MMs01344303
ENAMINE-ZINC03273993