MMsINC Database Search


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MMsINC code: MMs01790635

Type: Neutral
Formula: C₂₅H₂₀N₄O₂

SMILES:

O(C)c1ccccc1-c1nc(cc2c1[nH]c1c2cccc1)C(=O)NCc1cccnc1

InChI:

InChI=1/C25H20N4O2/c1-31-22-11-5-3-9-18(22)23-24-19(17-8-2-4-10-20(17)28-24)13-21(29-23)25(30)27-15-16-7-6-12-26-14-16/h2-14,28H,15H2,1H3,(H,27,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.73 kcal/mol

Physical Properties
Molecular Weight: 408.461 g/mol	logS: -5.51769	SlogP: 4.9831	Reactive groups: 0

Topological Properties
Globularity: 0.0741533	Sterimol/B1: 2.1855	Sterimol/B2: 4.53414	Sterimol/B3: 6.0038
Sterimol/B4: 8.12072	Sterimol/L: 18.5939

Surface and Volume Properties
Accessible surface: 691.883	Positive charged surface: 432.727	Negative charged surface: 243.795	Volume: 390.875
Hydrophobic surface: 600.578	Hydrophilic surface: 91.305

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: 0

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Ions/Tautomers related molecules: no related molecules available.