MMsINC Database Search


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MMsINC code: MMs02095327

Type: Neutral
Formula: C₁₉H₁₂Cl₂N₄O

SMILES:

Clc1cc(Cl)ccc1C(=O)Nc1cc(ccc1)-c1nc2n(c1)C=CC=N2

InChI:

InChI=1/C19H12Cl2N4O/c20-13-5-6-15(16(21)10-13)18(26)23-14-4-1-3-12(9-14)17-11-25-8-2-7-22-19(25)24-17/h1-11H,(H,23,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.315 kcal/mol

Physical Properties
Molecular Weight: 383.238 g/mol	logS: -6.89685	SlogP: 5.2958	Reactive groups: 0

Topological Properties
Globularity: 0.0146097	Sterimol/B1: 2.54561	Sterimol/B2: 3.03723	Sterimol/B3: 3.38968
Sterimol/B4: 8.97758	Sterimol/L: 19.0044

Surface and Volume Properties
Accessible surface: 606.893	Positive charged surface: 277.543	Negative charged surface: 329.35	Volume: 328.375
Hydrophobic surface: 492.538	Hydrophilic surface: 114.355

Pharmacophoric Properties
Hydrogen bond donors: 1	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.