MMsINC Database Search


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MMsINC code: MMs02197475

Type: Neutral
Formula: C₂₃H₁₅N₃O₂

SMILES:

o1c(cnc1-c1nc(ccc1)-c1oc(cn1)-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C23H15N3O2/c1-3-8-16(9-4-1)20-14-24-22(27-20)18-12-7-13-19(26-18)23-25-15-21(28-23)17-10-5-2-6-11-17/h1-15H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.585 kcal/mol

Physical Properties
Molecular Weight: 365.392 g/mol	logS: -7.85508	SlogP: 5.7256	Reactive groups: 0

Topological Properties
Globularity: 3.55515e-07	Sterimol/B1: 2.09732	Sterimol/B2: 2.10463	Sterimol/B3: 2.47606
Sterimol/B4: 10.9739	Sterimol/L: 17.8355

Surface and Volume Properties
Accessible surface: 660.64	Positive charged surface: 389.138	Negative charged surface: 271.502	Volume: 353.75
Hydrophobic surface: 581.991	Hydrophilic surface: 78.649

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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: 0

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Ions/Tautomers related molecules: no related molecules available.