MMsINC Database Search


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MMsINC code: MMs02613616

Type: Neutral
Formula: C₂₄H₂₀N₄

SMILES:

n1c(cc(nc1-c1ccccc1)NC1CC1)-c1cc(cnc1)-c1ccccc1

InChI:

InChI=1/C24H20N4/c1-3-7-17(8-4-1)19-13-20(16-25-15-19)22-14-23(26-21-11-12-21)28-24(27-22)18-9-5-2-6-10-18/h1-10,13-16,21H,11-12H2,(H,26,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.674 kcal/mol

Physical Properties
Molecular Weight: 364.452 g/mol	logS: -7.19692	SlogP: 5.4469	Reactive groups: 0

Topological Properties
Globularity: 0.00971689	Sterimol/B1: 2.71537	Sterimol/B2: 2.92731	Sterimol/B3: 5.44145
Sterimol/B4: 8.27077	Sterimol/L: 17.3414

Surface and Volume Properties
Accessible surface: 663.918	Positive charged surface: 367.273	Negative charged surface: 274.503	Volume: 366.625
Hydrophobic surface: 551.651	Hydrophilic surface: 112.267

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.