MMsINC Database Search


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MMsINC code: MMs02524125

Type: Neutral
Formula: C₁₉H₁₆N₄O₃

SMILES:

O(C)c1ccc(cc1C(=O)Nc1cccnc1)C(=O)Nc1cccnc1

InChI:

InChI=1/C19H16N4O3/c1-26-17-7-6-13(18(24)22-14-4-2-8-20-11-14)10-16(17)19(25)23-15-5-3-9-21-12-15/h2-12H,1H3,(H,22,24)(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.505 kcal/mol

Physical Properties
Molecular Weight: 348.362 g/mol	logS: -2.85896	SlogP: 2.9898	Reactive groups: 0

Topological Properties
Globularity: 0.0157863	Sterimol/B1: 1.9975	Sterimol/B2: 2.67005	Sterimol/B3: 2.92612
Sterimol/B4: 9.73116	Sterimol/L: 18.2639

Surface and Volume Properties
Accessible surface: 609.093	Positive charged surface: 433.019	Negative charged surface: 176.074	Volume: 322.75
Hydrophobic surface: 505.207	Hydrophilic surface: 103.886

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.