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MMsINC code: MMs01894926

Type: Neutral
Formula: C₁₉H₃₂N₂O₃

SMILES:

O(CCCCCCN1CCN(CC1)C)c1c(OC)cccc1OC

InChI:

InChI=1/C19H32N2O3/c1-20-12-14-21(15-13-20)11-6-4-5-7-16-24-19-17(22-2)9-8-10-18(19)23-3/h8-10H,4-7,11-16H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.865 kcal/mol

Physical Properties
Molecular Weight: 336.476 g/mol	logS: -2.28772	SlogP: 2.8904	Reactive groups: 0

Topological Properties
Globularity: 0.0363134	Sterimol/B1: 2.29789	Sterimol/B2: 4.61921	Sterimol/B3: 5.31487
Sterimol/B4: 6.45437	Sterimol/L: 20.8262

Surface and Volume Properties
Accessible surface: 680.497	Positive charged surface: 604.102	Negative charged surface: 76.3956	Volume: 358
Hydrophobic surface: 661.213	Hydrophilic surface: 19.284

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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

MMs01894927
IBS-ZINC04809016