MMsINC Database Search


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MMsINC code: MMs00446233

Type: Neutral
Formula: C₁₁H₁₅N₅

SMILES:

N=1C(N(c2ccccc2)C(=NC=1N)N)(C)C

InChI:

InChI=1/C11H15N5/c1-11(2)15-9(12)14-10(13)16(11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H4,12,13,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-11.8638 kcal/mol

Physical Properties
Molecular Weight: 217.276 g/mol	logS: -2.81147	SlogP: 0.8721	Reactive groups: 0

Topological Properties
Globularity: 0.270277	Sterimol/B1: 2.34067	Sterimol/B2: 2.8958	Sterimol/B3: 4.42789
Sterimol/B4: 6.24496	Sterimol/L: 12.3929

Surface and Volume Properties
Accessible surface: 426.592	Positive charged surface: 287.39	Negative charged surface: 139.202	Volume: 214
Hydrophobic surface: 234.648	Hydrophilic surface: 191.944

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.