MMsINC Database Search


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MMsINC code: MMs01885866

Type: Neutral
Formula: C₂₄H₃₂N₄

SMILES:

n1ccccc1N(\C(=N/C1CCCCC1)\NC1CCCCC1)c1ccccc1

InChI:

InChI=1/C24H32N4/c1-4-12-20(13-5-1)26-24(27-21-14-6-2-7-15-21)28(22-16-8-3-9-17-22)23-18-10-11-19-25-23/h3,8-11,16-21H,1-2,4-7,12-15H2,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.71 kcal/mol

Physical Properties
Molecular Weight: 376.548 g/mol	logS: -5.23623	SlogP: 5.8307	Reactive groups: 0

Topological Properties
Globularity: 0.2022	Sterimol/B1: 2.88744	Sterimol/B2: 3.40491	Sterimol/B3: 5.78916
Sterimol/B4: 9.04204	Sterimol/L: 13.1989

Surface and Volume Properties
Accessible surface: 648.16	Positive charged surface: 464.797	Negative charged surface: 183.362	Volume: 397.875
Hydrophobic surface: 638.19	Hydrophilic surface: 9.9699999999999

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1

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Ions/Tautomers related molecules: no related molecules available.