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MMsINC code: MMs02947160

Type: Neutral
Formula: C₂₄H₂₇N₃O₂

SMILES:

O1CCN(CC1)CCCNC(=O)c1cc(nc2c1cc(cc2)C)-c1ccccc1

InChI:

InChI=1/C24H27N3O2/c1-18-8-9-22-20(16-18)21(17-23(26-22)19-6-3-2-4-7-19)24(28)25-10-5-11-27-12-14-29-15-13-27/h2-4,6-9,16-17H,5,10-15H2,1H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.894 kcal/mol

Physical Properties
Molecular Weight: 389.499 g/mol	logS: -5.37979	SlogP: 3.66232	Reactive groups: 0

Topological Properties
Globularity: 0.0173452	Sterimol/B1: 1.969	Sterimol/B2: 3.1645	Sterimol/B3: 3.18184
Sterimol/B4: 13.0794	Sterimol/L: 18.2853

Surface and Volume Properties
Accessible surface: 711.084	Positive charged surface: 483.912	Negative charged surface: 216.269	Volume: 392.5
Hydrophobic surface: 643.756	Hydrophilic surface: 67.328

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs02947161
PUBCHEM-ZINC02867662