MMsINC Database Search


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MMsINC code: MMs02814900

Type: Neutral
Formula: C₂₀H₂₄N₄

SMILES:

n1c2c(ccc(N(C)C)c2)c(Nc2ccc(N(C)C)cc2)cc1C

InChI:

InChI=1/C20H24N4/c1-14-12-19(22-15-6-8-16(9-7-15)23(2)3)18-11-10-17(24(4)5)13-20(18)21-14/h6-13H,1-5H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.36 kcal/mol

Physical Properties
Molecular Weight: 320.44 g/mol	logS: -3.76195	SlogP: 4.41882	Reactive groups: 0

Topological Properties
Globularity: 0.0248815	Sterimol/B1: 2.08655	Sterimol/B2: 2.21721	Sterimol/B3: 4.19354
Sterimol/B4: 7.79818	Sterimol/L: 18.1984

Surface and Volume Properties
Accessible surface: 607.899	Positive charged surface: 464.486	Negative charged surface: 138.29	Volume: 336.875
Hydrophobic surface: 580.119	Hydrophilic surface: 27.78

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