MMsINC Database Search


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MMsINC code: MMs03305949

Type: Neutral
Formula: C₂₃H₂₀N₄O₂

SMILES:

Oc1n(c2c(cccc2)c1N=NC(=O)CNc1ccccc1)Cc1ccccc1

InChI:

InChI=1/C23H20N4O2/c28-21(15-24-18-11-5-2-6-12-18)25-26-22-19-13-7-8-14-20(19)27(23(22)29)16-17-9-3-1-4-10-17/h1-14,24,29H,15-16H2/b26-25+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.127 kcal/mol

Physical Properties
Molecular Weight: 384.439 g/mol	logS: -5.33305	SlogP: 5.384	Reactive groups: 0

Topological Properties
Globularity: 0.0339217	Sterimol/B1: 2.26752	Sterimol/B2: 2.55314	Sterimol/B3: 5.29164
Sterimol/B4: 9.94271	Sterimol/L: 18.9205

Surface and Volume Properties
Accessible surface: 680.545	Positive charged surface: 372.888	Negative charged surface: 301.764	Volume: 372.75
Hydrophobic surface: 583.24	Hydrophilic surface: 97.305

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.