MMsINC Database Search


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MMsINC code: MMs01178967

Type: Neutral
Formula: C₂₂H₂₄N₂O₂

SMILES:

o1c2c(cc1C(=O)N(CC1CCCCC1)Cc1ncccc1)cccc2

InChI:

InChI=1/C22H24N2O2/c25-22(21-14-18-10-4-5-12-20(18)26-21)24(15-17-8-2-1-3-9-17)16-19-11-6-7-13-23-19/h4-7,10-14,17H,1-3,8-9,15-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.9902 kcal/mol

Physical Properties
Molecular Weight: 348.446 g/mol	logS: -5.86032	SlogP: 5.3169	Reactive groups: 0

Topological Properties
Globularity: 0.158317	Sterimol/B1: 2.64651	Sterimol/B2: 3.61043	Sterimol/B3: 4.39564
Sterimol/B4: 9.68591	Sterimol/L: 14.9057

Surface and Volume Properties
Accessible surface: 605.528	Positive charged surface: 403.284	Negative charged surface: 196.433	Volume: 351.875
Hydrophobic surface: 567.734	Hydrophilic surface: 37.794

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