MMsINC Database Search


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MMsINC code: MMs01179783

Type: Neutral
Formula: C₂₄H₂₂N₂O₂

SMILES:

o1cc(cc1)CN(C(=O)c1nc2c(cc1)cccc2)CCCc1ccccc1

InChI:

InChI=1/C24H22N2O2/c27-24(23-13-12-21-10-4-5-11-22(21)25-23)26(17-20-14-16-28-18-20)15-6-9-19-7-2-1-3-8-19/h1-5,7-8,10-14,16,18H,6,9,15,17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.025 kcal/mol

Physical Properties
Molecular Weight: 370.452 g/mol	logS: -5.56417	SlogP: 5.36937	Reactive groups: 0

Topological Properties
Globularity: 0.118508	Sterimol/B1: 2.67831	Sterimol/B2: 3.41293	Sterimol/B3: 4.90157
Sterimol/B4: 9.79746	Sterimol/L: 15.8148

Surface and Volume Properties
Accessible surface: 625.133	Positive charged surface: 328.847	Negative charged surface: 291.001	Volume: 369.25
Hydrophobic surface: 573.182	Hydrophilic surface: 51.951

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.