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MMsINC code: MMs02546979

Type: Neutral
Formula: C₂₂H₂₈N₂O₂

SMILES:

O(Cc1ccccc1)C(=O)N(C(CN1CCCC1)c1ccc(cc1)C)C

InChI:

InChI=1/C22H28N2O2/c1-18-10-12-20(13-11-18)21(16-24-14-6-7-15-24)23(2)22(25)26-17-19-8-4-3-5-9-19/h3-5,8-13,21H,6-7,14-17H2,1-2H3/t21-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.9377 kcal/mol

Physical Properties
Molecular Weight: 352.478 g/mol	logS: -4.19393	SlogP: 4.76242	Reactive groups: 0

Topological Properties
Globularity: 0.100954	Sterimol/B1: 2.51722	Sterimol/B2: 3.16532	Sterimol/B3: 4.52564
Sterimol/B4: 10.3674	Sterimol/L: 16.8119

Surface and Volume Properties
Accessible surface: 653.065	Positive charged surface: 441.351	Negative charged surface: 211.714	Volume: 366.5
Hydrophobic surface: 617.571	Hydrophilic surface: 35.494

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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

MMs02546980
OAKWOOD-ZINC02580975