MMsINC Database Search


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MMsINC code: MMs03301681

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

O(Cc1ccccc1)c1ccc(cc1)C(=O)N\N=C\c1c(cc(cc1C)C)C

InChI:

InChI=1/C24H24N2O2/c1-17-13-18(2)23(19(3)14-17)15-25-26-24(27)21-9-11-22(12-10-21)28-16-20-7-5-4-6-8-20/h4-15H,16H2,1-3H3,(H,26,27)/b25-15+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.831 kcal/mol

Physical Properties
Molecular Weight: 372.468 g/mol	logS: -6.77819	SlogP: 5.22116	Reactive groups: 0

Topological Properties
Globularity: 0.0155819	Sterimol/B1: 3.5815	Sterimol/B2: 3.64769	Sterimol/B3: 4.74276
Sterimol/B4: 5.18631	Sterimol/L: 23.5532

Surface and Volume Properties
Accessible surface: 702.284	Positive charged surface: 416.694	Negative charged surface: 285.59	Volume: 382.375
Hydrophobic surface: 630.653	Hydrophilic surface: 71.631

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.