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MMsINC code: MMs01255241

Type: Neutral
Formula: C₁₈H₂₄N₄O₂

SMILES:

O=C1N(N=C(c2c1cccc2)C(=O)N1CCN(CC1)CC)CCC

InChI:

InChI=1/C18H24N4O2/c1-3-9-22-17(23)15-8-6-5-7-14(15)16(19-22)18(24)21-12-10-20(4-2)11-13-21/h5-8H,3-4,9-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.721 kcal/mol

Physical Properties
Molecular Weight: 328.416 g/mol	logS: -3.05496	SlogP: 1.4206	Reactive groups: 0

Topological Properties
Globularity: 0.103245	Sterimol/B1: 1.969	Sterimol/B2: 3.36936	Sterimol/B3: 3.95671
Sterimol/B4: 11.062	Sterimol/L: 14.2891

Surface and Volume Properties
Accessible surface: 590.826	Positive charged surface: 430.294	Negative charged surface: 160.533	Volume: 325.25
Hydrophobic surface: 480.865	Hydrophilic surface: 109.961

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

MMs01255242
ENAMINE-ZINC02620842