MMsINC Database Search


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MMsINC code: MMs02388355

Type: Neutral
Formula: C₁₁H₁₀N₆

SMILES:

[nH]1ncc2c1ncnc2N(C)c1cccnc1

InChI:

InChI=1/C11H10N6/c1-17(8-3-2-4-12-5-8)11-9-6-15-16-10(9)13-7-14-11/h2-7H,1H3,(H,13,14,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.9941 kcal/mol

Physical Properties
Molecular Weight: 226.243 g/mol	logS: -2.13935	SlogP: 1.5158	Reactive groups: 0

Topological Properties
Globularity: 0.212781	Sterimol/B1: 2.16817	Sterimol/B2: 3.42253	Sterimol/B3: 5.07966
Sterimol/B4: 6.21733	Sterimol/L: 12.101

Surface and Volume Properties
Accessible surface: 416.106	Positive charged surface: 312.023	Negative charged surface: 102.333	Volume: 206.75
Hydrophobic surface: 278.653	Hydrophilic surface: 137.453

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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.