MMsINC Database Search


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MMsINC code: MMs03388101

Type: Neutral
Formula: C₂₄H₂₆N₄

SMILES:

n1nn(c2c1cccc2)C(N(Cc1ccccc1)CCCC)c1ccccc1

InChI:

InChI=1/C24H26N4/c1-2-3-18-27(19-20-12-6-4-7-13-20)24(21-14-8-5-9-15-21)28-23-17-11-10-16-22(23)25-26-28/h4-17,24H,2-3,18-19H2,1H3/t24-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.011 kcal/mol

Physical Properties
Molecular Weight: 370.5 g/mol	logS: -5.40929	SlogP: 5.6424	Reactive groups: 0

Topological Properties
Globularity: 0.235018	Sterimol/B1: 3.29845	Sterimol/B2: 4.2914	Sterimol/B3: 5.64369
Sterimol/B4: 9.51001	Sterimol/L: 15.1924

Surface and Volume Properties
Accessible surface: 640.454	Positive charged surface: 381.766	Negative charged surface: 258.688	Volume: 386.375
Hydrophobic surface: 577.368	Hydrophilic surface: 63.086

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.