MMsINC Database Search


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MMsINC code: MMs02674559

Type: Neutral
Formula: C₂₀H₂₆N₂O

SMILES:

O=C(Nc1c(cccc1C(C)C)C(C)C)Nc1ccccc1C

InChI:

InChI=1/C20H26N2O/c1-13(2)16-10-8-11-17(14(3)4)19(16)22-20(23)21-18-12-7-6-9-15(18)5/h6-14H,1-5H3,(H2,21,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.739 kcal/mol

Physical Properties
Molecular Weight: 310.441 g/mol	logS: -5.79434	SlogP: 5.88582	Reactive groups: 0

Topological Properties
Globularity: 0.190846	Sterimol/B1: 1.969	Sterimol/B2: 4.69432	Sterimol/B3: 6.57348
Sterimol/B4: 6.83089	Sterimol/L: 14.2284

Surface and Volume Properties
Accessible surface: 594.749	Positive charged surface: 378.912	Negative charged surface: 215.837	Volume: 328.875
Hydrophobic surface: 493.376	Hydrophilic surface: 101.373

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.