MMsINC Database Search


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MMsINC code: MMs00692312

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

O=C(Nc1cc(cc(c1)C)C)c1ccc(cc1)C(=O)Nc1cc(cc(c1)C)C

InChI:

InChI=1/C24H24N2O2/c1-15-9-16(2)12-21(11-15)25-23(27)19-5-7-20(8-6-19)24(28)26-22-13-17(3)10-18(4)14-22/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)=115.172 kcal/mol

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

Topological Properties
Globularity: 0.0102038	Sterimol/B1: 2.36143	Sterimol/B2: 2.85373	Sterimol/B3: 2.87006
Sterimol/B4: 7.09418	Sterimol/L: 20.5493

Surface and Volume Properties
Accessible surface: 696.658	Positive charged surface: 406.471	Negative charged surface: 290.188	Volume: 378.875
Hydrophobic surface: 622.085	Hydrophilic surface: 74.573

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.