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MMsINC code: MMs00804822

Type: Neutral
Formula: C₂₄H₂₅N₃O₃

SMILES:

O1CCN(CC1)CCNC(=O)c1ccccc1NC(=O)c1c2c(ccc1)cccc2

InChI:

InChI=1/C24H25N3O3/c28-23(25-12-13-27-14-16-30-17-15-27)21-9-3-4-11-22(21)26-24(29)20-10-5-7-18-6-1-2-8-19(18)20/h1-11H,12-17H2,(H,25,28)(H,26,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.869 kcal/mol

Physical Properties
Molecular Weight: 403.482 g/mol	logS: -5.56825	SlogP: 3.1541	Reactive groups: 0

Topological Properties
Globularity: 0.0321044	Sterimol/B1: 2.39868	Sterimol/B2: 3.99496	Sterimol/B3: 4.54667
Sterimol/B4: 8.76892	Sterimol/L: 20.37

Surface and Volume Properties
Accessible surface: 699.162	Positive charged surface: 465.665	Negative charged surface: 223.139	Volume: 392.125
Hydrophobic surface: 631.421	Hydrophilic surface: 67.741

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs00804823
CHEMBRIDGE-ZINC04865617