MMsINC Database Search


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MMsINC code: MMs02610603

Type: Neutral
Formula: C₂₄H₂₀N₄

SMILES:

n1c(cc(nc1-c1ccccc1)N1CCc2c(C1)cccc2)-c1cccnc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.873 kcal/mol

Physical Properties
Molecular Weight: 364.452 g/mol	logS: -6.30088	SlogP: 5.03467	Reactive groups: 0

Topological Properties
Globularity: 0.030549	Sterimol/B1: 2.54291	Sterimol/B2: 2.683	Sterimol/B3: 4.0045
Sterimol/B4: 12.0576	Sterimol/L: 16.4333

Surface and Volume Properties
Accessible surface: 634.67	Positive charged surface: 384.205	Negative charged surface: 239.393	Volume: 362.125
Hydrophobic surface: 584.495	Hydrophilic surface: 50.175

Pharmacophoric Properties
Hydrogen bond donors: 0	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.