MMsINC Database Search


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MMsINC code: MMs01158416

Type: Neutral
Formula: C₂₂H₂₆N₂O₂

SMILES:

o1cccc1CN(C(=O)c1ccc(cc1)CCCC)Cc1n(ccc1)C

InChI:

InChI=1/C22H26N2O2/c1-3-4-7-18-10-12-19(13-11-18)22(25)24(17-21-9-6-15-26-21)16-20-8-5-14-23(20)2/h5-6,8-15H,3-4,7,16-17H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.869 kcal/mol

Physical Properties
Molecular Weight: 350.462 g/mol	logS: -5.22212	SlogP: 5.69527	Reactive groups: 0

Topological Properties
Globularity: 0.0642123	Sterimol/B1: 3.22046	Sterimol/B2: 4.54338	Sterimol/B3: 5.01344
Sterimol/B4: 7.17727	Sterimol/L: 17.7545

Surface and Volume Properties
Accessible surface: 638.859	Positive charged surface: 403.094	Negative charged surface: 235.765	Volume: 364.875
Hydrophobic surface: 555.793	Hydrophilic surface: 83.066

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: no related molecules available.