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MMsINC code: MMs01349250

Type: Tautomer
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)=167.446 kcal/mol

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

Topological Properties
Globularity: 0.0670799	Sterimol/B1: 3.62076	Sterimol/B2: 3.67489	Sterimol/B3: 4.71575
Sterimol/B4: 8.87985	Sterimol/L: 18.8284

Surface and Volume Properties
Accessible surface: 661.04	Positive charged surface: 315.079	Negative charged surface: 345.96	Volume: 376.625
Hydrophobic surface: 605.677	Hydrophilic surface: 55.363

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:

MMs01349249
ENAMINE-ZINC03283393