MMsINC Database Search


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MMsINC code: MMs00885318

Type: Neutral
Formula: C₂₅H₂₀N₄

SMILES:

n1cnc2n(cc(c2c1Nc1ccc(cc1)C)-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C25H20N4/c1-18-12-14-20(15-13-18)28-24-23-22(19-8-4-2-5-9-19)16-29(25(23)27-17-26-24)21-10-6-3-7-11-21/h2-17H,1H3,(H,26,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.403 kcal/mol

Physical Properties
Molecular Weight: 376.463 g/mol	logS: -8.36445	SlogP: 6.13952	Reactive groups: 0

Topological Properties
Globularity: 0.0462199	Sterimol/B1: 3.17128	Sterimol/B2: 3.2381	Sterimol/B3: 3.27007
Sterimol/B4: 9.37789	Sterimol/L: 18.2411

Surface and Volume Properties
Accessible surface: 655.833	Positive charged surface: 388.726	Negative charged surface: 262.377	Volume: 379.25
Hydrophobic surface: 598.12	Hydrophilic surface: 57.713

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.