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MMsINC code: MMs02134027

Type: Neutral
Formula: C₁₈H₁₈N₂O₂

SMILES:

O(C)c1cc2cc([nH]c2cc1)C(=O)NCCc1ccccc1

InChI:

InChI=1/C18H18N2O2/c1-22-15-7-8-16-14(11-15)12-17(20-16)18(21)19-10-9-13-5-3-2-4-6-13/h2-8,11-12,20H,9-10H2,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.3589 kcal/mol

Physical Properties
Molecular Weight: 294.354 g/mol	logS: -3.85358	SlogP: 3.14897	Reactive groups: 0

Topological Properties
Globularity: 0.0268315	Sterimol/B1: 3.61035	Sterimol/B2: 3.61687	Sterimol/B3: 3.61894
Sterimol/B4: 4.53007	Sterimol/L: 20.6339

Surface and Volume Properties
Accessible surface: 580.121	Positive charged surface: 356.773	Negative charged surface: 216.964	Volume: 293.875
Hydrophobic surface: 497.287	Hydrophilic surface: 82.834

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.