MMsINC Database Search


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MMsINC code: MMs00061713

Type: Neutral
Formula: C₂₂H₂₄N₂O₂

SMILES:

O(Cc1ccccc1)c1cc2c([nH]c(C(=O)N3CCCCC3)c2C)cc1

InChI:

InChI=1/C22H24N2O2/c1-16-19-14-18(26-15-17-8-4-2-5-9-17)10-11-20(19)23-21(16)22(25)24-12-6-3-7-13-24/h2,4-5,8-11,14,23H,3,6-7,12-13,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.5158 kcal/mol

Physical Properties
Molecular Weight: 348.446 g/mol	logS: -4.60074	SlogP: 4.94782	Reactive groups: 0

Topological Properties
Globularity: 0.066896	Sterimol/B1: 2.36619	Sterimol/B2: 3.94453	Sterimol/B3: 4.32592
Sterimol/B4: 6.18276	Sterimol/L: 19.9465

Surface and Volume Properties
Accessible surface: 637.327	Positive charged surface: 405.737	Negative charged surface: 227.315	Volume: 352.625
Hydrophobic surface: 572.816	Hydrophilic surface: 64.511

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.