MMsINC Database Search


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MMsINC code: MMs03212051

Type: Neutral
Formula: C₁₉H₂₆N₂

SMILES:

Nc1c(cc(cc1C)Cc1cc(CC)c(N)c(c1)C)CC

InChI:

InChI=1/C19H26N2/c1-5-16-10-14(7-12(3)18(16)20)9-15-8-13(4)19(21)17(6-2)11-15/h7-8,10-11H,5-6,9,20-21H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.1739 kcal/mol

Physical Properties
Molecular Weight: 282.431 g/mol	logS: -4.61534	SlogP: 4.18335	Reactive groups: 0

Topological Properties
Globularity: 0.120554	Sterimol/B1: 2.24576	Sterimol/B2: 2.47163	Sterimol/B3: 5.58195
Sterimol/B4: 7.96411	Sterimol/L: 13.6604

Surface and Volume Properties
Accessible surface: 564.788	Positive charged surface: 393.721	Negative charged surface: 171.067	Volume: 315.25
Hydrophobic surface: 446.09	Hydrophilic surface: 118.698

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.