MMsINC Database Search


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MMsINC code: MMs00490930

Type: Neutral
Formula: C₁₈H₂₄N₄

SMILES:

n1cccc(C)c1CN1CCN(CC1)Cc1ncccc1C

InChI:

InChI=1/C18H24N4/c1-15-5-3-7-19-17(15)13-21-9-11-22(12-10-21)14-18-16(2)6-4-8-20-18/h3-8H,9-14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.615 kcal/mol

Physical Properties
Molecular Weight: 296.418 g/mol	logS: -1.18146	SlogP: 2.94404	Reactive groups: 0

Topological Properties
Globularity: 0.0778598	Sterimol/B1: 2.84987	Sterimol/B2: 3.0974	Sterimol/B3: 4.49745
Sterimol/B4: 6.24511	Sterimol/L: 15.1812

Surface and Volume Properties
Accessible surface: 563.433	Positive charged surface: 429.354	Negative charged surface: 134.078	Volume: 311
Hydrophobic surface: 538.027	Hydrophilic surface: 25.406

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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

MMs00490931
CHEMBLOCK-ZINC00056314