MMsINC Database Search


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MMsINC code: MMs00335268

Type: Neutral
Formula: C₁₅H₁₀Cl₂N₈

SMILES:

Clc1ccc(-n2nnnc2Cc2nnnn2-c2ccc(Cl)cc2)cc1

InChI:

InChI=1/C15H10Cl2N8/c16-10-1-5-12(6-2-10)24-14(18-20-22-24)9-15-19-21-23-25(15)13-7-3-11(17)4-8-13/h1-8H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.114 kcal/mol

Physical Properties
Molecular Weight: 373.207 g/mol	logS: -3.65693	SlogP: 2.53557	Reactive groups: 0

Topological Properties
Globularity: 0.137169	Sterimol/B1: 2.45646	Sterimol/B2: 4.10499	Sterimol/B3: 4.91897
Sterimol/B4: 5.50091	Sterimol/L: 17.3129

Surface and Volume Properties
Accessible surface: 558.439	Positive charged surface: 171.981	Negative charged surface: 319.491	Volume: 303.125
Hydrophobic surface: 484.102	Hydrophilic surface: 74.337

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 6	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.