MMsINC Database Search


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

MMsINC code: MMs02285230

Type: Ionized
Formula: C₁₉H₁₅N₂O₅-

SMILES:

O=C1N(CC(=O)NC(Cc2ccccc2)C(=O)[O-])C(=O)c2c1cccc2

InChI:

InChI=1/C19H16N2O5/c22-16(20-15(19(25)26)10-12-6-2-1-3-7-12)11-21-17(23)13-8-4-5-9-14(13)18(21)24/h1-9,15H,10-11H2,(H,20,22)(H,25,26)/p-1/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.2897 kcal/mol

Physical Properties
Molecular Weight: 351.338 g/mol	logS: -4.19296	SlogP: -0.24003	Reactive groups: 0

Topological Properties
Globularity: 0.152382	Sterimol/B1: 2.10584	Sterimol/B2: 3.40914	Sterimol/B3: 4.41685
Sterimol/B4: 8.04409	Sterimol/L: 15.2549

Surface and Volume Properties
Accessible surface: 537.016	Positive charged surface: 285.933	Negative charged surface: 251.084	Volume: 319.5
Hydrophobic surface: 350.703	Hydrophilic surface: 186.313

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 2	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:

Parent related molecule:

MMs02285229
NCID-ZINC01643987