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MMsINC code: MMs02226466

Type: Neutral
Formula: C₂₂H₂₃NO

SMILES:

O(Cc1ccccc1)c1ccc(cc1)CCNCc1ccccc1

InChI:

InChI=1/C22H23NO/c1-3-7-20(8-4-1)17-23-16-15-19-11-13-22(14-12-19)24-18-21-9-5-2-6-10-21/h1-14,23H,15-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.3863 kcal/mol

Physical Properties
Molecular Weight: 317.432 g/mol	logS: -4.77303	SlogP: 5.13067	Reactive groups: 0

Topological Properties
Globularity: 0.032746	Sterimol/B1: 3.43239	Sterimol/B2: 3.50811	Sterimol/B3: 4.11965
Sterimol/B4: 4.38186	Sterimol/L: 22.5589

Surface and Volume Properties
Accessible surface: 659.875	Positive charged surface: 394.562	Negative charged surface: 265.312	Volume: 343.5
Hydrophobic surface: 629.846	Hydrophilic surface: 30.029

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02226467
NCID-ZINC01564849