MMsINC Database Search


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MMsINC code: MMs00411868

Type: Neutral
Formula: C₂₀H₁₇N₃O₃

SMILES:

O(C)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1cccnc1

InChI:

InChI=1/C20H17N3O3/c1-26-16-10-8-14(9-11-16)19(24)23-18-7-3-2-6-17(18)20(25)22-15-5-4-12-21-13-15/h2-13H,1H3,(H,22,25)(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.198 kcal/mol

Physical Properties
Molecular Weight: 347.374 g/mol	logS: -4.1171	SlogP: 3.5948	Reactive groups: 0

Topological Properties
Globularity: 0.0253696	Sterimol/B1: 2.51404	Sterimol/B2: 3.50347	Sterimol/B3: 4.61379
Sterimol/B4: 9.36625	Sterimol/L: 15.5612

Surface and Volume Properties
Accessible surface: 603.47	Positive charged surface: 394.932	Negative charged surface: 208.538	Volume: 327.625
Hydrophobic surface: 522.905	Hydrophilic surface: 80.565

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.