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MMsINC code: MMs01714871

Type: Neutral
Formula: C₂₄H₃₃N₃O₂

SMILES:

O1CCN(CC1)CC(O)CN1CCN(CC1)C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H33N3O2/c28-23(20-26-15-17-29-18-16-26)19-25-11-13-27(14-12-25)24(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-10,23-24,28H,11-20H2/t23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.772 kcal/mol

Physical Properties
Molecular Weight: 395.547 g/mol	logS: -3.05779	SlogP: 2.1822	Reactive groups: 0

Topological Properties
Globularity: 0.0594645	Sterimol/B1: 2.15861	Sterimol/B2: 3.43799	Sterimol/B3: 4.2918
Sterimol/B4: 9.11755	Sterimol/L: 19.0193

Surface and Volume Properties
Accessible surface: 706.435	Positive charged surface: 532.956	Negative charged surface: 173.479	Volume: 410.75
Hydrophobic surface: 651.41	Hydrophilic surface: 55.025

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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

MMs01714872
ENAMINE-ZINC06940497