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MMsINC code: MMs00579529

Type: Neutral
Formula: C₂₄H₂₆N₂O₂

SMILES:

O(CCNC(=O)CN(Cc1ccccc1)Cc1ccccc1)c1ccccc1

InChI:

InChI=1/C24H26N2O2/c27-24(25-16-17-28-23-14-8-3-9-15-23)20-26(18-21-10-4-1-5-11-21)19-22-12-6-2-7-13-22/h1-15H,16-20H2,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.172 kcal/mol

Physical Properties
Molecular Weight: 374.484 g/mol	logS: -5.04152	SlogP: 4.4168	Reactive groups: 0

Topological Properties
Globularity: 0.0816739	Sterimol/B1: 2.36005	Sterimol/B2: 3.81108	Sterimol/B3: 4.53323
Sterimol/B4: 7.98498	Sterimol/L: 20.153

Surface and Volume Properties
Accessible surface: 671.9	Positive charged surface: 436.681	Negative charged surface: 235.219	Volume: 386.5
Hydrophobic surface: 632.704	Hydrophilic surface: 39.196

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs00579530
CHEMBLOCK-ZINC04783872