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MMsINC code: MMs00641827

Type: Neutral
Formula: C₂₄H₂₇N₃O₄

SMILES:

O=C1N(CCC(=O)Nc2ccccc2C(=O)N(CCC)CCC)C(=O)c2c1cccc2

InChI:

InChI=1/C24H27N3O4/c1-3-14-26(15-4-2)22(29)19-11-7-8-12-20(19)25-21(28)13-16-27-23(30)17-9-5-6-10-18(17)24(27)31/h5-12H,3-4,13-16H2,1-2H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.2394 kcal/mol

Physical Properties
Molecular Weight: 421.497 g/mol	logS: -4.91118	SlogP: 3.5736	Reactive groups: 0

Topological Properties
Globularity: 0.0902003	Sterimol/B1: 1.969	Sterimol/B2: 3.25954	Sterimol/B3: 6.03892
Sterimol/B4: 11.0525	Sterimol/L: 18.0924

Surface and Volume Properties
Accessible surface: 728.517	Positive charged surface: 451.691	Negative charged surface: 276.825	Volume: 412.75
Hydrophobic surface: 553.818	Hydrophilic surface: 174.699

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: no related molecules available.