MMsINC Database Search


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MMsINC code: MMs03903238

Type: Neutral
Formula: C₂₁H₁₅N₃O₃

SMILES:

O=C1N(C(=O)c2c1cccc2)c1ccc(cc1)C(=O)Nc1ncccc1C

InChI:

InChI=1/C21H15N3O3/c1-13-5-4-12-22-18(13)23-19(25)14-8-10-15(11-9-14)24-20(26)16-6-2-3-7-17(16)21(24)27/h2-12H,1H3,(H,22,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.107 kcal/mol

Physical Properties
Molecular Weight: 357.369 g/mol	logS: -4.94217	SlogP: 3.44292	Reactive groups: 0

Topological Properties
Globularity: 0.00144857	Sterimol/B1: 2.10692	Sterimol/B2: 2.14521	Sterimol/B3: 2.51212
Sterimol/B4: 6.70233	Sterimol/L: 20.1539

Surface and Volume Properties
Accessible surface: 600.088	Positive charged surface: 331.673	Negative charged surface: 268.415	Volume: 326.125
Hydrophobic surface: 482.659	Hydrophilic surface: 117.429

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: 1

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Ions/Tautomers related molecules: no related molecules available.