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MMsINC code: MMs01084201

Type: Neutral
Formula: C₁₆H₁₆N₃+

SMILES:

[NH2+]=C(N\N=C\C=C\c1ccccc1)c1ccccc1

InChI:

InChI=1/C16H15N3/c17-16(15-11-5-2-6-12-15)19-18-13-7-10-14-8-3-1-4-9-14/h1-13H,(H2,17,19)/p+1/b10-7+,18-13+


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.6304 kcal/mol

Physical Properties
Molecular Weight: 250.325 g/mol	logS: -4.22034	SlogP: 1.4811	Reactive groups: 0

Topological Properties
Globularity: 0.0326326	Sterimol/B1: 3.18893	Sterimol/B2: 3.38277	Sterimol/B3: 3.61292
Sterimol/B4: 4.10847	Sterimol/L: 18.6353

Surface and Volume Properties
Accessible surface: 543.321	Positive charged surface: 327.212	Negative charged surface: 216.109	Volume: 266.75
Hydrophobic surface: 442.168	Hydrophilic surface: 101.153

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 2
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

MMs01084204
CHEMSTAR-ZINC03148527