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MMsINC code: MMs00402427

Type: Neutral
Formula: C₁₈H₂₄N₄O₄

SMILES:

O1CCN(CC1)CCCNC(=O)Nc1cnc2c(ccc(OC)c2)c1O

InChI:

InChI=1/C18H24N4O4/c1-25-13-3-4-14-15(11-13)20-12-16(17(14)23)21-18(24)19-5-2-6-22-7-9-26-10-8-22/h3-4,11-12H,2,5-10H2,1H3,(H,20,23)(H2,19,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.0755 kcal/mol

Physical Properties
Molecular Weight: 360.414 g/mol	logS: -2.0963	SlogP: 1.7928	Reactive groups: 0

Topological Properties
Globularity: 0.0136689	Sterimol/B1: 2.56664	Sterimol/B2: 3.52183	Sterimol/B3: 4.01061
Sterimol/B4: 4.14431	Sterimol/L: 22.8541

Surface and Volume Properties
Accessible surface: 651.132	Positive charged surface: 526.333	Negative charged surface: 119.057	Volume: 340.25
Hydrophobic surface: 502.646	Hydrophilic surface: 148.486

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 6	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

MMs00402428
ASINEX-ZINC04908244