MMsINC Database Search


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MMsINC code: MMs03240684

Type: Neutral
Formula: C₁₅H₁₆N₄

SMILES:

n1nn(c2c1cccc2)Cc1ccc(N(C)C)cc1

InChI:

InChI=1/C15H16N4/c1-18(2)13-9-7-12(8-10-13)11-19-15-6-4-3-5-14(15)16-17-19/h3-10H,11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.9409 kcal/mol

Physical Properties
Molecular Weight: 252.321 g/mol	logS: -2.74598	SlogP: 2.812	Reactive groups: 0

Topological Properties
Globularity: 0.09997	Sterimol/B1: 2.88069	Sterimol/B2: 3.96677	Sterimol/B3: 4.58905
Sterimol/B4: 4.76823	Sterimol/L: 14.2504

Surface and Volume Properties
Accessible surface: 486.771	Positive charged surface: 310.913	Negative charged surface: 175.858	Volume: 257
Hydrophobic surface: 419.367	Hydrophilic surface: 67.404

Pharmacophoric Properties
Hydrogen bond donors: 0	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.