MMsINC Database Search


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MMsINC code: MMs03383524

Type: Neutral
Formula: C₁₄H₁₅N₃

SMILES:

N(N=NCc1ccccc1)c1ccc(cc1)C

InChI:

InChI=1/C14H15N3/c1-12-7-9-14(10-8-12)16-17-15-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.2672 kcal/mol

Physical Properties
Molecular Weight: 225.295 g/mol	logS: -3.39293	SlogP: 4.24072	Reactive groups: 0

Topological Properties
Globularity: 0.0562757	Sterimol/B1: 3.09568	Sterimol/B2: 3.23	Sterimol/B3: 3.89819
Sterimol/B4: 4.61883	Sterimol/L: 16.165

Surface and Volume Properties
Accessible surface: 498.731	Positive charged surface: 289.414	Negative charged surface: 209.317	Volume: 238.375
Hydrophobic surface: 451.757	Hydrophilic surface: 46.974

Pharmacophoric Properties
Hydrogen bond donors: 1	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.