MMsINC Database Search


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MMsINC code: MMs02465843

Type: Neutral
Formula: C₂₃H₂₆N₂

SMILES:

N12c3c(cccc3)C(C)(C)C1(C=C1N(c3c(cccc3)C1(C)C)C2)C

InChI:

InChI=1/C23H26N2/c1-21(2)16-10-6-8-12-18(16)24-15-25-19-13-9-7-11-17(19)22(3,4)23(25,5)14-20(21)24/h6-14H,15H2,1-5H3/t23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.791 kcal/mol

Physical Properties
Molecular Weight: 330.475 g/mol	logS: -4.96178	SlogP: 5.1957	Reactive groups: 0

Topological Properties
Globularity: 0.120013	Sterimol/B1: 2.22585	Sterimol/B2: 2.73454	Sterimol/B3: 5.62082
Sterimol/B4: 6.96932	Sterimol/L: 15.3775

Surface and Volume Properties
Accessible surface: 558.309	Positive charged surface: 350.806	Negative charged surface: 207.503	Volume: 348
Hydrophobic surface: 476.858	Hydrophilic surface: 81.451

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.