MMsINC Database Search


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MMsINC code: MMs02761835

Type: Neutral
Formula: C₁₉H₁₆N₄O₂

SMILES:

O=C(NCc1ccccc1)c1cc(NC(=O)c2nccnc2)ccc1

InChI:

InChI=1/C19H16N4O2/c24-18(22-12-14-5-2-1-3-6-14)15-7-4-8-16(11-15)23-19(25)17-13-20-9-10-21-17/h1-11,13H,12H2,(H,22,24)(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.1944 kcal/mol

Physical Properties
Molecular Weight: 332.363 g/mol	logS: -2.90554	SlogP: 2.9253	Reactive groups: 0

Topological Properties
Globularity: 0.0302856	Sterimol/B1: 3.55818	Sterimol/B2: 3.83807	Sterimol/B3: 4.05298
Sterimol/B4: 5.18018	Sterimol/L: 20.3997

Surface and Volume Properties
Accessible surface: 609.745	Positive charged surface: 389.065	Negative charged surface: 220.681	Volume: 315.125
Hydrophobic surface: 485.235	Hydrophilic surface: 124.51

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.