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MMsINC code: MMs01860975

Type: Neutral
Formula: C₂₁H₂₆N₄O₃

SMILES:

O1CCN(CC1)CCCn1cc2N(C)C(=O)N(C)C(=O)c2c1-c1ccccc1

InChI:

InChI=1/C21H26N4O3/c1-22-17-15-25(10-6-9-24-11-13-28-14-12-24)19(16-7-4-3-5-8-16)18(17)20(26)23(2)21(22)27/h3-5,7-8,15H,6,9-14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.209 kcal/mol

Physical Properties
Molecular Weight: 382.464 g/mol	logS: -2.84947	SlogP: 2.7856	Reactive groups: 0

Topological Properties
Globularity: 0.107207	Sterimol/B1: 2.08642	Sterimol/B2: 3.36794	Sterimol/B3: 4.67983
Sterimol/B4: 10.4459	Sterimol/L: 17.0582

Surface and Volume Properties
Accessible surface: 655.054	Positive charged surface: 516.513	Negative charged surface: 138.54	Volume: 371.75
Hydrophobic surface: 565.607	Hydrophilic surface: 89.447

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

MMs01860976
IBS-ZINC02428482