MMsINC Database Search


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MMsINC code: MMs02219951

Type: Neutral
Formula: C₁₅H₂₀N₄+2

SMILES:

[NH2+]=C1N(C=NC2=C1C[NH+](CC2)Cc1ccccc1)C

InChI:

InChI=1/C15H18N4/c1-18-11-17-14-7-8-19(10-13(14)15(18)16)9-12-5-3-2-4-6-12/h2-6,11,16H,7-10H2,1H3/p+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=18.5941 kcal/mol

Physical Properties
Molecular Weight: 256.353 g/mol	logS: -2.61381	SlogP: -0.873	Reactive groups: 0

Topological Properties
Globularity: 0.122124	Sterimol/B1: 3.77092	Sterimol/B2: 3.96373	Sterimol/B3: 3.98253
Sterimol/B4: 5.59131	Sterimol/L: 13.6484

Surface and Volume Properties
Accessible surface: 487.547	Positive charged surface: 378.466	Negative charged surface: 109.081	Volume: 266.5
Hydrophobic surface: 356.235	Hydrophilic surface: 131.312

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 3
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

search links for this molecule:

Ions/Tautomers related molecules

MMs02219955 NCID-ZINC01556528	MMs02219953 NCID-ZINC01556528	MMs02219952 NCID-ZINC01556528
MMs02219954 NCID-ZINC01556528