MMsINC Database Search


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

MMsINC code: MMs02261898

Type: Neutral
Formula: C₁₉H₁₈N₂O₄

SMILES:

O=C1N(C(Cc2ccccc2)C(O)=O)C(=O)NC1Cc1ccccc1

InChI:

InChI=1/C19H18N2O4/c22-17-15(11-13-7-3-1-4-8-13)20-19(25)21(17)16(18(23)24)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,20,25)(H,23,24)/t15-,16+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.2197 kcal/mol

Physical Properties
Molecular Weight: 338.363 g/mol	logS: -3.68907	SlogP: 1.84534	Reactive groups: 0

Topological Properties
Globularity: 0.0934115	Sterimol/B1: 3.0832	Sterimol/B2: 4.46997	Sterimol/B3: 5.12056
Sterimol/B4: 6.68973	Sterimol/L: 15.1018

Surface and Volume Properties
Accessible surface: 567.625	Positive charged surface: 309.634	Negative charged surface: 257.992	Volume: 316
Hydrophobic surface: 414.975	Hydrophilic surface: 152.65

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs02261899
NCID-ZINC01611207