MMsINC Database Search


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MMsINC code: MMs00866069

Type: Neutral
Formula: C₂₄H₂₄N₄

SMILES:

n1cnc2n(cc(c2c1N1CCCCC1)-c1ccccc1)-c1ccc(cc1)C

InChI:

InChI=1/C24H24N4/c1-18-10-12-20(13-11-18)28-16-21(19-8-4-2-5-9-19)22-23(25-17-26-24(22)28)27-14-6-3-7-15-27/h2,4-5,8-13,16-17H,3,6-7,14-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.862 kcal/mol

Physical Properties
Molecular Weight: 368.484 g/mol	logS: -7.42569	SlogP: 5.38622	Reactive groups: 0

Topological Properties
Globularity: 0.0702274	Sterimol/B1: 3.53288	Sterimol/B2: 3.72671	Sterimol/B3: 5.63738
Sterimol/B4: 5.99099	Sterimol/L: 17.4946

Surface and Volume Properties
Accessible surface: 625.985	Positive charged surface: 422.705	Negative charged surface: 199.791	Volume: 376.875
Hydrophobic surface: 561.078	Hydrophilic surface: 64.907

Pharmacophoric Properties
Hydrogen bond donors: 0	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.