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MMsINC code: MMs00830840

Type: Neutral
Formula: C₁₉H₂₆N₂O₂

SMILES:

O=C1CCCc2c1n(c1c2cccc1)CC(O)CN(CC)CC

InChI:

InChI=1/C19H26N2O2/c1-3-20(4-2)12-14(22)13-21-17-10-6-5-8-15(17)16-9-7-11-18(23)19(16)21/h5-6,8,10,14,22H,3-4,7,9,11-13H2,1-2H3/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.3306 kcal/mol

Physical Properties
Molecular Weight: 314.429 g/mol	logS: -2.64395	SlogP: 3.12937	Reactive groups: 0

Topological Properties
Globularity: 0.0646477	Sterimol/B1: 3.31437	Sterimol/B2: 3.35883	Sterimol/B3: 3.63398
Sterimol/B4: 8.29002	Sterimol/L: 14.9667

Surface and Volume Properties
Accessible surface: 572.321	Positive charged surface: 396.49	Negative charged surface: 170.352	Volume: 326.25
Hydrophobic surface: 472.684	Hydrophilic surface: 99.637

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

search links for this molecule:

Ions/Tautomers related molecules

MMs00830841
CHEMDIV-ZINC00074835