MMsINC Database Search


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MMsINC code: MMs01131388

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

o1c2cc(n(c2cc1)Cc1cc(ccc1C)C)C(=O)NCCc1ccccc1

InChI:

InChI=1/C24H24N2O2/c1-17-8-9-18(2)20(14-17)16-26-21-11-13-28-23(21)15-22(26)24(27)25-12-10-19-6-4-3-5-7-19/h3-9,11,13-15H,10,12,16H2,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.033 kcal/mol

Physical Properties
Molecular Weight: 372.468 g/mol	logS: -5.9804	SlogP: 5.13831	Reactive groups: 0

Topological Properties
Globularity: 0.0833921	Sterimol/B1: 2.51974	Sterimol/B2: 2.98699	Sterimol/B3: 4.82406
Sterimol/B4: 7.97063	Sterimol/L: 17.8651

Surface and Volume Properties
Accessible surface: 610.187	Positive charged surface: 333.1	Negative charged surface: 277.086	Volume: 374
Hydrophobic surface: 544.542	Hydrophilic surface: 65.645

Pharmacophoric Properties
Hydrogen bond donors: 1	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.