MMsINC Database Search


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MMsINC code: MMs00663150

Type: Neutral
Formula: C₂₄H₂₀N₂O₄

SMILES:

O(C)c1ccc(NC(=O)c2ccc(cc2)C)cc1CN1C(=O)c2c(cccc2)C1=O

InChI:

InChI=1/C24H20N2O4/c1-15-7-9-16(10-8-15)22(27)25-18-11-12-21(30-2)17(13-18)14-26-23(28)19-5-3-4-6-20(19)24(26)29/h3-13H,14H2,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.795 kcal/mol

Physical Properties
Molecular Weight: 400.434 g/mol	logS: -6.19692	SlogP: 4.31852	Reactive groups: 0

Topological Properties
Globularity: 0.0396224	Sterimol/B1: 3.18475	Sterimol/B2: 4.02975	Sterimol/B3: 4.41002
Sterimol/B4: 7.85841	Sterimol/L: 19.7244

Surface and Volume Properties
Accessible surface: 670.975	Positive charged surface: 410.659	Negative charged surface: 260.315	Volume: 378.25
Hydrophobic surface: 566.74	Hydrophilic surface: 104.235

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.