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MMsINC code: MMs02865540

Type: Neutral
Formula: C₁₉H₂₈N₄O₃

SMILES:

O1CCN(CC1)C1CCN(CC1)C(=O)NC(Cc1ccccc1)C(=O)N

InChI:

InChI=1/C19H28N4O3/c20-18(24)17(14-15-4-2-1-3-5-15)21-19(25)23-8-6-16(7-9-23)22-10-12-26-13-11-22/h1-5,16-17H,6-14H2,(H2,20,24)(H,21,25)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.4863 kcal/mol

Physical Properties
Molecular Weight: 360.458 g/mol	logS: -2.34802	SlogP: 0.58917	Reactive groups: 0

Topological Properties
Globularity: 0.0928794	Sterimol/B1: 2.45736	Sterimol/B2: 3.88679	Sterimol/B3: 4.43383
Sterimol/B4: 9.00086	Sterimol/L: 17.1064

Surface and Volume Properties
Accessible surface: 621.443	Positive charged surface: 458.625	Negative charged surface: 162.818	Volume: 355.125
Hydrophobic surface: 486.476	Hydrophilic surface: 134.967

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02865541
PUBCHEM-ZINC02047737