MMsINC Database Search


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MMsINC code: MMs01242320

Type: Neutral
Formula: C₂₄H₂₀N₂O₄

SMILES:

O(C)c1cc(N(C(=O)c2ccccc2)CCN2C(=O)c3c(cccc3)C2=O)ccc1

InChI:

InChI=1/C24H20N2O4/c1-30-19-11-7-10-18(16-19)25(22(27)17-8-3-2-4-9-17)14-15-26-23(28)20-12-5-6-13-21(20)24(26)29/h2-13,16H,14-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=180.818 kcal/mol

Physical Properties
Molecular Weight: 400.434 g/mol	logS: -5.64345	SlogP: 3.6382	Reactive groups: 0

Topological Properties
Globularity: 0.0278701	Sterimol/B1: 2.54408	Sterimol/B2: 3.38472	Sterimol/B3: 3.96051
Sterimol/B4: 9.25389	Sterimol/L: 18.4019

Surface and Volume Properties
Accessible surface: 640.59	Positive charged surface: 377.505	Negative charged surface: 263.085	Volume: 374.875
Hydrophobic surface: 553.166	Hydrophilic surface: 87.424

Pharmacophoric Properties
Hydrogen bond donors: 0	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.