MMsINC Database Search


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MMsINC code: MMs02095665

Type: Neutral
Formula: C₂₀H₁₆N₄O₂

SMILES:

O(C)c1ccc(cc1)C(=O)Nc1ccc(cc1)-c1nc2n(c1)C=CC=N2

InChI:

InChI=1/C20H16N4O2/c1-26-17-9-5-15(6-10-17)19(25)22-16-7-3-14(4-8-16)18-13-24-12-2-11-21-20(24)23-18/h2-13H,1H3,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.98 kcal/mol

Physical Properties
Molecular Weight: 344.374 g/mol	logS: -5.47865	SlogP: 3.9976	Reactive groups: 0

Topological Properties
Globularity: 0.00781437	Sterimol/B1: 2.48859	Sterimol/B2: 3.21556	Sterimol/B3: 3.27656
Sterimol/B4: 4.76654	Sterimol/L: 21.9534

Surface and Volume Properties
Accessible surface: 609.383	Positive charged surface: 370.455	Negative charged surface: 238.929	Volume: 326.125
Hydrophobic surface: 472.688	Hydrophilic surface: 136.695

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.