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MMsINC code: MMs00415397

Type: Neutral
Formula: C₂₂H₂₆N₂O₂

SMILES:

O=C(C1CCN(CC1)CC(=O)Nc1ccccc1C)c1ccc(cc1)C

InChI:

InChI=1/C22H26N2O2/c1-16-7-9-18(10-8-16)22(26)19-11-13-24(14-12-19)15-21(25)23-20-6-4-3-5-17(20)2/h3-10,19H,11-15H2,1-2H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.242 kcal/mol

Physical Properties
Molecular Weight: 350.462 g/mol	logS: -4.52736	SlogP: 3.83684	Reactive groups: 0

Topological Properties
Globularity: 0.0709637	Sterimol/B1: 2.29384	Sterimol/B2: 3.11119	Sterimol/B3: 5.45565
Sterimol/B4: 7.26438	Sterimol/L: 19.3845

Surface and Volume Properties
Accessible surface: 653.68	Positive charged surface: 425.825	Negative charged surface: 227.855	Volume: 359
Hydrophobic surface: 597.926	Hydrophilic surface: 55.754

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

MMs00415398
ASINEX-ZINC04966641