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MMsINC code: MMs01181296

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

O1CCc2cc(ccc12)C(=O)N(Cc1ncccc1)CCCc1ccccc1

InChI:

InChI=1/C24H24N2O2/c27-24(21-11-12-23-20(17-21)13-16-28-23)26(18-22-10-4-5-14-25-22)15-6-9-19-7-2-1-3-8-19/h1-5,7-8,10-12,14,17H,6,9,13,15-16,18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=168.036 kcal/mol

Physical Properties
Molecular Weight: 372.468 g/mol	logS: -4.35309	SlogP: 4.55804	Reactive groups: 0

Topological Properties
Globularity: 0.0817935	Sterimol/B1: 3.02787	Sterimol/B2: 4.38878	Sterimol/B3: 6.59851
Sterimol/B4: 8.07649	Sterimol/L: 15.7426

Surface and Volume Properties
Accessible surface: 652.824	Positive charged surface: 427.341	Negative charged surface: 225.483	Volume: 373.875
Hydrophobic surface: 603.356	Hydrophilic surface: 49.468

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.