MMsINC Database Search


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MMsINC code: MMs02329938

Type: Neutral
Formula: C₁₉H₂₆N₂

SMILES:

N(CC)c1ccc(cc1C)Cc1cc(C)c(NCC)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.453 kcal/mol

Physical Properties
Molecular Weight: 282.431 g/mol	logS: -4.06954	SlogP: 4.75781	Reactive groups: 0

Topological Properties
Globularity: 0.127486	Sterimol/B1: 2.36162	Sterimol/B2: 4.14384	Sterimol/B3: 5.57329
Sterimol/B4: 6.68859	Sterimol/L: 17.3626

Surface and Volume Properties
Accessible surface: 595.723	Positive charged surface: 417.685	Negative charged surface: 178.038	Volume: 318.375
Hydrophobic surface: 525.731	Hydrophilic surface: 69.992

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.