MMsINC Database Search


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MMsINC code: MMs00666601

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

O=C(NC(c1ccccc1)c1ccccc1)c1cc(NC(=O)C(C)C)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.2763 kcal/mol

Physical Properties
Molecular Weight: 372.468 g/mol	logS: -5.6798	SlogP: 4.896	Reactive groups: 0

Topological Properties
Globularity: 0.0847192	Sterimol/B1: 4.42063	Sterimol/B2: 4.64645	Sterimol/B3: 5.09963
Sterimol/B4: 6.33128	Sterimol/L: 18.3798

Surface and Volume Properties
Accessible surface: 681.214	Positive charged surface: 391.251	Negative charged surface: 289.963	Volume: 378.625
Hydrophobic surface: 576.543	Hydrophilic surface: 104.671

Pharmacophoric Properties
Hydrogen bond donors: 2	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.