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MMsINC code: MMs01349249

Type: Neutral
Formula: C₂₄H₁₉ClN₂O₂

SMILES:

Clc1ccc(N\C=C\2/c3c(cccc3)C(=O)N(c3ccc(cc3C)C)C/2=O)cc1

InChI:

InChI=1/C24H19ClN2O2/c1-15-7-12-22(16(2)13-15)27-23(28)20-6-4-3-5-19(20)21(24(27)29)14-26-18-10-8-17(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)=133.519 kcal/mol

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

Topological Properties
Globularity: 0.0712031	Sterimol/B1: 3.53044	Sterimol/B2: 3.57586	Sterimol/B3: 4.82013
Sterimol/B4: 10.3045	Sterimol/L: 17.8538

Surface and Volume Properties
Accessible surface: 661.186	Positive charged surface: 310.479	Negative charged surface: 350.707	Volume: 378.5
Hydrophobic surface: 618.194	Hydrophilic surface: 42.992

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

MMs01349250
ENAMINE-ZINC03283393