MMsINC Database Search


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MMsINC code: MMs00143519

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

O=C(Nc1cc(cc(c1)C)C)c1cc(ccc1)C(=O)Nc1cc(cc(c1)C)C

InChI:

InChI=1/C24H24N2O2/c1-15-8-16(2)11-21(10-15)25-23(27)19-6-5-7-20(14-19)24(28)26-22-12-17(3)9-18(4)13-22/h5-14H,1-4H3,(H,25,27)(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.513 kcal/mol

Physical Properties
Molecular Weight: 372.468 g/mol	logS: -7.22054	SlogP: 5.42488	Reactive groups: 0

Topological Properties
Globularity: 0.0181679	Sterimol/B1: 2.4546	Sterimol/B2: 4.32242	Sterimol/B3: 4.35117
Sterimol/B4: 6.32681	Sterimol/L: 21.2283

Surface and Volume Properties
Accessible surface: 699.351	Positive charged surface: 410.228	Negative charged surface: 289.123	Volume: 378.375
Hydrophobic surface: 623.844	Hydrophilic surface: 75.507

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.