MMsINC Database Search


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MMsINC code: MMs00448082

Type: Neutral
Formula: C₂₁H₁₅N₃O₃

SMILES:

O=C1N(c2ccccc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1

InChI:

InChI=1/C21H15N3O3/c25-19-22(16-10-4-1-5-11-16)20(26)24(18-14-8-3-9-15-18)21(27)23(19)17-12-6-2-7-13-17/h1-15H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.728 kcal/mol

Physical Properties
Molecular Weight: 357.369 g/mol	logS: -5.57858	SlogP: 4.8798	Reactive groups: 0

Topological Properties
Globularity: 0.202064	Sterimol/B1: 2.71358	Sterimol/B2: 3.63492	Sterimol/B3: 3.63899
Sterimol/B4: 10.5109	Sterimol/L: 14.3688

Surface and Volume Properties
Accessible surface: 603.245	Positive charged surface: 317.702	Negative charged surface: 285.542	Volume: 330.25
Hydrophobic surface: 534.638	Hydrophilic surface: 68.607

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.