MMsINC Database Search


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

MMsINC code: MMs00147415

Type: Neutral
Formula: C₂₃H₁₉NO₄

SMILES:

O(C(=O)c1ccccc1NC(=O)c1ccccc1)C(C(=O)c1ccccc1)C

InChI:

InChI=1/C23H19NO4/c1-16(21(25)17-10-4-2-5-11-17)28-23(27)19-14-8-9-15-20(19)24-22(26)18-12-6-3-7-13-18/h2-16H,1H3,(H,24,26)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.938 kcal/mol

Physical Properties
Molecular Weight: 373.408 g/mol	logS: -6.16306	SlogP: 4.3671	Reactive groups: 0

Topological Properties
Globularity: 0.0451553	Sterimol/B1: 2.07953	Sterimol/B2: 4.96817	Sterimol/B3: 6.56852
Sterimol/B4: 7.05345	Sterimol/L: 17.4676

Surface and Volume Properties
Accessible surface: 654.043	Positive charged surface: 350.089	Negative charged surface: 303.954	Volume: 357.25
Hydrophobic surface: 553.339	Hydrophilic surface: 100.704

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.