MMsINC Database Search


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MMsINC code: MMs00053349

Type: Neutral
Formula: C₁₉H₁₅Cl₂N₃O

SMILES:

Clc1nc(Cl)cc(c1)C(=O)N(Cc1ccccc1)Cc1cccnc1

InChI:

InChI=1/C19H15Cl2N3O/c20-17-9-16(10-18(21)23-17)19(25)24(12-14-5-2-1-3-6-14)13-15-7-4-8-22-11-15/h1-11H,12-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.882 kcal/mol

Physical Properties
Molecular Weight: 372.255 g/mol	logS: -4.53564	SlogP: 5.1588	Reactive groups: 0

Topological Properties
Globularity: 0.130921	Sterimol/B1: 2.8208	Sterimol/B2: 4.48151	Sterimol/B3: 6.69886
Sterimol/B4: 8.09639	Sterimol/L: 14.0753

Surface and Volume Properties
Accessible surface: 579.383	Positive charged surface: 263.034	Negative charged surface: 316.349	Volume: 333.5
Hydrophobic surface: 495.968	Hydrophilic surface: 83.415

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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: no related molecules available.