MMsINC Database Search


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MMsINC code: MMs00389680

Type: Neutral
Formula: C₂₆H₃₂N₂

SMILES:

n1cc(cnc1-c1ccc(cc1)-c1ccc(cc1)CCCCC)CCCCC

InChI:

InChI=1/C26H32N2/c1-3-5-7-9-21-11-13-23(14-12-21)24-15-17-25(18-16-24)26-27-19-22(20-28-26)10-8-6-4-2/h11-20H,3-10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.7336 kcal/mol

Physical Properties
Molecular Weight: 372.556 g/mol	logS: -10.1559	SlogP: 7.27594	Reactive groups: 0

Topological Properties
Globularity: 0.0168929	Sterimol/B1: 2.56003	Sterimol/B2: 3.62442	Sterimol/B3: 3.63331
Sterimol/B4: 4.14943	Sterimol/L: 27.0946

Surface and Volume Properties
Accessible surface: 757.66	Positive charged surface: 521.926	Negative charged surface: 220.198	Volume: 416.375
Hydrophobic surface: 690.182	Hydrophilic surface: 67.478

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: 1

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Ions/Tautomers related molecules: no related molecules available.