MMsINC Database Search


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

MMsINC code: MMs01931622

Type: Neutral
Formula: C₁₉H₁₄N₂O₅

SMILES:

O1C(c2c(cccc2)C1=O)C1C(=O)N(c2ccccc2C)C(=O)NC1=O

InChI:

InChI=1/C19H14N2O5/c1-10-6-2-5-9-13(10)21-17(23)14(16(22)20-19(21)25)15-11-7-3-4-8-12(11)18(24)26-15/h2-9,14-15H,1H3,(H,20,22,25)/t14-,15+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.9829 kcal/mol

Physical Properties
Molecular Weight: 350.33 g/mol	logS: -4.46108	SlogP: 2.20122	Reactive groups: 0

Topological Properties
Globularity: 0.24289	Sterimol/B1: 2.70947	Sterimol/B2: 4.19746	Sterimol/B3: 6.17253
Sterimol/B4: 6.42753	Sterimol/L: 12.7779

Surface and Volume Properties
Accessible surface: 523.993	Positive charged surface: 276.137	Negative charged surface: 247.855	Volume: 305.625
Hydrophobic surface: 361.719	Hydrophilic surface: 162.274

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.