MMsINC Database Search


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

MMsINC code: MMs00718571

Type: Neutral
Formula: C₂₀H₂₄N₂O₄

SMILES:

O(C)c1cc(NC(=O)c2ccc(OC)cc2)ccc1NC(=O)CCCC

InChI:

InChI=1/C20H24N2O4/c1-4-5-6-19(23)22-17-12-9-15(13-18(17)26-3)21-20(24)14-7-10-16(25-2)11-8-14/h7-13H,4-6H2,1-3H3,(H,21,24)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.686 kcal/mol

Physical Properties
Molecular Weight: 356.422 g/mol	logS: -4.89729	SlogP: 4.0848	Reactive groups: 0

Topological Properties
Globularity: 0.0120156	Sterimol/B1: 2.5456	Sterimol/B2: 2.74352	Sterimol/B3: 3.27309
Sterimol/B4: 8.78447	Sterimol/L: 22.7326

Surface and Volume Properties
Accessible surface: 670.149	Positive charged surface: 486.83	Negative charged surface: 183.318	Volume: 349.875
Hydrophobic surface: 553.833	Hydrophilic surface: 116.316

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.