MMsINC Database Search


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MMsINC code: MMs02635720

Type: Neutral
Formula: C₁₀H₁₄N₄

SMILES:

n1n(c2c(c(N(C)C)ccc2)c1N)C

InChI:

InChI=1/C10H14N4/c1-13(2)7-5-4-6-8-9(7)10(11)12-14(8)3/h4-6H,1-3H3,(H2,11,12)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.2239 kcal/mol

Physical Properties
Molecular Weight: 190.25 g/mol	logS: -1.52116	SlogP: 1.5807	Reactive groups: 0

Topological Properties
Globularity: 0.106655	Sterimol/B1: 3.56358	Sterimol/B2: 3.58507	Sterimol/B3: 4.84363
Sterimol/B4: 5.2103	Sterimol/L: 11.3244

Surface and Volume Properties
Accessible surface: 401.742	Positive charged surface: 317.237	Negative charged surface: 80.5691	Volume: 196.875
Hydrophobic surface: 318.549	Hydrophilic surface: 83.193

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.