MMsINC Database Search


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MMsINC code: MMs02961408

Type: Neutral
Formula: C₂₃H₂₄N₂O₂

SMILES:

O=C(C)c1cc(n(CCC(=O)Nc2cc(ccc2)C)c1C)-c1ccccc1

InChI:

InChI=1/C23H24N2O2/c1-16-8-7-11-20(14-16)24-23(27)12-13-25-17(2)21(18(3)26)15-22(25)19-9-5-4-6-10-19/h4-11,14-15H,12-13H2,1-3H3,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.9122 kcal/mol

Physical Properties
Molecular Weight: 360.457 g/mol	logS: -5.09522	SlogP: 5.26974	Reactive groups: 0

Topological Properties
Globularity: 0.0567548	Sterimol/B1: 2.12961	Sterimol/B2: 5.402	Sterimol/B3: 5.59933
Sterimol/B4: 6.72	Sterimol/L: 18.3659

Surface and Volume Properties
Accessible surface: 657.743	Positive charged surface: 381.269	Negative charged surface: 276.474	Volume: 370.125
Hydrophobic surface: 575.582	Hydrophilic surface: 82.161

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.