MMsINC Database Search


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MMsINC code: MMs03678301

Type: Ionized
Formula: C₂₃H₁₅N₂O₃-

SMILES:

O=C(Nc1ccc(cc1)C(=O)[O-])c1cc(nc2c1cccc2)-c1ccccc1

InChI:

InChI=1/C23H16N2O3/c26-22(24-17-12-10-16(11-13-17)23(27)28)19-14-21(15-6-2-1-3-7-15)25-20-9-5-4-8-18(19)20/h1-14H,(H,24,26)(H,27,28)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.5964 kcal/mol

Physical Properties
Molecular Weight: 367.384 g/mol	logS: -6.56844	SlogP: 3.5176	Reactive groups: 0

Topological Properties
Globularity: 0.0437456	Sterimol/B1: 2.69172	Sterimol/B2: 3.42755	Sterimol/B3: 3.52037
Sterimol/B4: 10.4142	Sterimol/L: 18.0834

Surface and Volume Properties
Accessible surface: 637.024	Positive charged surface: 301.513	Negative charged surface: 324.926	Volume: 347
Hydrophobic surface: 494.923	Hydrophilic surface: 142.101

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

Parent related molecule:

MMs03678300
PUBCHEM-ZINC06344745