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MMsINC code: MMs01349048

Type: Neutral
Formula: C₂₄H₁₉ClN₂O₂

SMILES:

Clc1ccc(N\C=C\2/c3c(cccc3)C(=O)N(C/2=O)c2cc(C)c(cc2)C)cc1

InChI:

InChI=1/C24H19ClN2O2/c1-15-7-12-19(13-16(15)2)27-23(28)21-6-4-3-5-20(21)22(24(27)29)14-26-18-10-8-17(25)9-11-18/h3-14,26H,1-2H3/b22-14-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.309 kcal/mol

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

Topological Properties
Globularity: 0.0527546	Sterimol/B1: 3.33223	Sterimol/B2: 3.8411	Sterimol/B3: 4.51249
Sterimol/B4: 10.1427	Sterimol/L: 17.9291

Surface and Volume Properties
Accessible surface: 658.21	Positive charged surface: 316.11	Negative charged surface: 342.1	Volume: 377.25
Hydrophobic surface: 604.699	Hydrophilic surface: 53.511

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

MMs01349049
ENAMINE-ZINC03282929