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MMsINC code: MMs02008287

Type: Neutral
Formula: C₂₀H₁₅ClN₄O₂

SMILES:

Clc1cc(ccc1)C(=O)Nc1cc(ccc1OC)-c1nc2n(c1)C=CC=N2

InChI:

InChI=1/C20H15ClN4O2/c1-27-18-7-6-13(17-12-25-9-3-8-22-20(25)24-17)11-16(18)23-19(26)14-4-2-5-15(21)10-14/h2-12H,1H3,(H,23,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.317 kcal/mol

Physical Properties
Molecular Weight: 378.819 g/mol	logS: -6.21294	SlogP: 4.651	Reactive groups: 0

Topological Properties
Globularity: 0.0114124	Sterimol/B1: 1.97822	Sterimol/B2: 2.549	Sterimol/B3: 3.46477
Sterimol/B4: 10.5708	Sterimol/L: 18.5721

Surface and Volume Properties
Accessible surface: 637.065	Positive charged surface: 355.179	Negative charged surface: 281.886	Volume: 341
Hydrophobic surface: 509.774	Hydrophilic surface: 127.291

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.