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MMsINC code: MMs00845753

Type: Neutral
Formula: C₁₉H₃₀N₂O₂

SMILES:

O(C)c1ccc(cc1)C(N(CC)CC)C(=O)NC1CCCCC1

InChI:

InChI=1/C19H30N2O2/c1-4-21(5-2)18(15-11-13-17(23-3)14-12-15)19(22)20-16-9-7-6-8-10-16/h11-14,16,18H,4-10H2,1-3H3,(H,20,22)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.309 kcal/mol

Physical Properties
Molecular Weight: 318.461 g/mol	logS: -3.60484	SlogP: 3.6225	Reactive groups: 0

Topological Properties
Globularity: 0.113468	Sterimol/B1: 3.39344	Sterimol/B2: 3.80252	Sterimol/B3: 3.92202
Sterimol/B4: 7.19875	Sterimol/L: 15.8885

Surface and Volume Properties
Accessible surface: 583.526	Positive charged surface: 462.848	Negative charged surface: 120.678	Volume: 335.25
Hydrophobic surface: 520.67	Hydrophilic surface: 62.856

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs00845754
CHEMDIV-ZINC00246258