MMsINC Database Search


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MMsINC code: MMs03077015

Type: Neutral
Formula: C₁₅H₁₅N₅

SMILES:

n1c(N)c2cc(ccc2nc1N)CNc1ccccc1

InChI:

InChI=1/C15H15N5/c16-14-12-8-10(6-7-13(12)19-15(17)20-14)9-18-11-4-2-1-3-5-11/h1-8,18H,9H2,(H4,16,17,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.334 kcal/mol

Physical Properties
Molecular Weight: 265.32 g/mol	logS: -4.05354	SlogP: 2.6727	Reactive groups: 0

Topological Properties
Globularity: 0.0629684	Sterimol/B1: 3.61189	Sterimol/B2: 3.68121	Sterimol/B3: 4.40907
Sterimol/B4: 4.91429	Sterimol/L: 16.9488

Surface and Volume Properties
Accessible surface: 514.669	Positive charged surface: 325.042	Negative charged surface: 183.956	Volume: 256.875
Hydrophobic surface: 311.104	Hydrophilic surface: 203.565

Pharmacophoric Properties
Hydrogen bond donors: 3	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.