MMsINC Database Search


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MMsINC code: MMs00861425

Type: Neutral
Formula: C₂₄H₂₀N₂O₄

SMILES:

O(C(=O)C)c1ccc(cc1)-c1cc(ccc1)C(=O)N1N(CCC1=O)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=157.826 kcal/mol

Physical Properties
Molecular Weight: 400.434 g/mol	logS: -6.21972	SlogP: 4.073	Reactive groups: 0

Topological Properties
Globularity: 0.100872	Sterimol/B1: 2.54864	Sterimol/B2: 4.22145	Sterimol/B3: 5.17586
Sterimol/B4: 8.18754	Sterimol/L: 19.8708

Surface and Volume Properties
Accessible surface: 667.008	Positive charged surface: 376.09	Negative charged surface: 283.06	Volume: 380.25
Hydrophobic surface: 572.738	Hydrophilic surface: 94.27

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.