MMsINC Database Search


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MMsINC code: MMs01100655

Type: Neutral
Formula: C₂₂H₂₄N₂O₂

SMILES:

O(C)c1cc2c(cc1C(=O)Nc1ccc(N(CC)CC)cc1)cccc2

InChI:

InChI=1/C22H24N2O2/c1-4-24(5-2)19-12-10-18(11-13-19)23-22(25)20-14-16-8-6-7-9-17(16)15-21(20)26-3/h6-15H,4-5H2,1-3H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.315 kcal/mol

Physical Properties
Molecular Weight: 348.446 g/mol	logS: -5.86496	SlogP: 4.9469	Reactive groups: 0

Topological Properties
Globularity: 0.0174902	Sterimol/B1: 2.7104	Sterimol/B2: 3.28451	Sterimol/B3: 3.85714
Sterimol/B4: 7.30095	Sterimol/L: 18.411

Surface and Volume Properties
Accessible surface: 636.235	Positive charged surface: 422.224	Negative charged surface: 203.28	Volume: 355.625
Hydrophobic surface: 541.222	Hydrophilic surface: 95.013

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.