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MMsINC code: MMs03184927

Type: Neutral
Formula: C₂₄H₂₅N₃O₃

SMILES:

O=C(N(CCC)CC(=O)NCC(=O)Nc1ccccc1)c1c2c(ccc1)cccc2

InChI:

InChI=1/C24H25N3O3/c1-2-15-27(24(30)21-14-8-10-18-9-6-7-13-20(18)21)17-23(29)25-16-22(28)26-19-11-4-3-5-12-19/h3-14H,2,15-17H2,1H3,(H,25,29)(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.867 kcal/mol

Physical Properties
Molecular Weight: 403.482 g/mol	logS: -6.00088	SlogP: 3.4469	Reactive groups: 0

Topological Properties
Globularity: 0.0638689	Sterimol/B1: 2.16043	Sterimol/B2: 3.54464	Sterimol/B3: 5.52562
Sterimol/B4: 8.12164	Sterimol/L: 21.4762

Surface and Volume Properties
Accessible surface: 710.991	Positive charged surface: 432.168	Negative charged surface: 271.838	Volume: 395.75
Hydrophobic surface: 570.024	Hydrophilic surface: 140.967

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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: no related molecules available.