MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02004497

Type: Neutral
Formula: C₂₄H₂₅N₃O₄

SMILES:

O1CCN(CC1)C(=O)Cn1cc(c2c1cccc2)C(=O)C(=O)N(Cc1ccccc1)C

InChI:

InChI=1/C24H25N3O4/c1-25(15-18-7-3-2-4-8-18)24(30)23(29)20-16-27(21-10-6-5-9-19(20)21)17-22(28)26-11-13-31-14-12-26/h2-10,16H,11-15,17H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.826 kcal/mol

Physical Properties
Molecular Weight: 419.481 g/mol	logS: -4.06624	SlogP: 2.8742	Reactive groups: 0

Topological Properties
Globularity: 0.0822432	Sterimol/B1: 2.68044	Sterimol/B2: 5.27825	Sterimol/B3: 5.92068
Sterimol/B4: 6.96227	Sterimol/L: 17.3554

Surface and Volume Properties
Accessible surface: 706.914	Positive charged surface: 484.391	Negative charged surface: 216.542	Volume: 407.75
Hydrophobic surface: 615.425	Hydrophilic surface: 91.489

Pharmacophoric Properties
Hydrogen bond donors: 0	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.