MMsINC Database Search


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MMsINC code: MMs01206933

Type: Neutral
Formula: C₁₉H₂₆N₂O₂

SMILES:

O(C)c1cc(ccc1)Cn1c(C(=O)N(CCC)C)c(cc1C)C

InChI:

InChI=1/C19H26N2O2/c1-6-10-20(4)19(22)18-14(2)11-15(3)21(18)13-16-8-7-9-17(12-16)23-5/h7-9,11-12H,6,10,13H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.0408 kcal/mol

Physical Properties
Molecular Weight: 314.429 g/mol	logS: -2.73629	SlogP: 3.91024	Reactive groups: 0

Topological Properties
Globularity: 0.162946	Sterimol/B1: 3.6736	Sterimol/B2: 3.85151	Sterimol/B3: 4.87485
Sterimol/B4: 8.62681	Sterimol/L: 14.163

Surface and Volume Properties
Accessible surface: 588.495	Positive charged surface: 418.489	Negative charged surface: 170.006	Volume: 333.75
Hydrophobic surface: 529.332	Hydrophilic surface: 59.163

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.