MMsINC Database Search


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MMsINC code: MMs01859611

Type: Neutral
Formula: C₂₀H₁₅ClN₆

SMILES:

Clc1cc(-n2ncc3-c4nc(nn4C=Nc23)-c2ccccc2C)c(cc1)C

InChI:

InChI=1/C20H15ClN6/c1-12-5-3-4-6-15(12)18-24-20-16-10-23-27(19(16)22-11-26(20)25-18)17-9-14(21)8-7-13(17)2/h3-11H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.396 kcal/mol

Physical Properties
Molecular Weight: 374.835 g/mol	logS: -7.63928	SlogP: 4.58954	Reactive groups: 0

Topological Properties
Globularity: 0.0227748	Sterimol/B1: 2.2797	Sterimol/B2: 2.57113	Sterimol/B3: 3.99035
Sterimol/B4: 7.49836	Sterimol/L: 18.9037

Surface and Volume Properties
Accessible surface: 616.539	Positive charged surface: 330.64	Negative charged surface: 285.899	Volume: 342.125
Hydrophobic surface: 543.026	Hydrophilic surface: 73.513

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.