MMsINC Database Search


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

MMsINC code: MMs00192136

Type: Neutral
Formula: C₂₄H₁₄N₄O₂

SMILES:

O=C1n2c(nc3c2cccc3)-c2c3c1ccc(c3ccc2)C(=O)Nc1cccnc1

InChI:

InChI=1/C24H14N4O2/c29-23(26-14-5-4-12-25-13-14)16-10-11-18-21-15(16)6-3-7-17(21)22-27-19-8-1-2-9-20(19)28(22)24(18)30/h1-13H,(H,26,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.544 kcal/mol

Physical Properties
Molecular Weight: 390.402 g/mol	logS: -7.48369	SlogP: 4.5057	Reactive groups: 0

Topological Properties
Globularity: 0.00533143	Sterimol/B1: 2.62478	Sterimol/B2: 2.74988	Sterimol/B3: 4.59355
Sterimol/B4: 5.46414	Sterimol/L: 20.6664

Surface and Volume Properties
Accessible surface: 617.966	Positive charged surface: 349.186	Negative charged surface: 258.707	Volume: 354
Hydrophobic surface: 517.472	Hydrophilic surface: 100.494

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	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: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.