MMsINC Database Search


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MMsINC code: MMs01812406

Type: Neutral
Formula: C₂₄H₂₀N₂O₄

SMILES:

O(C(=O)N(c1ccccc1)c1ccccc1)c1cc2c([nH]c(C)c2C(OC)=O)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.768 kcal/mol

Physical Properties
Molecular Weight: 400.434 g/mol	logS: -6.09901	SlogP: 5.60002	Reactive groups: 0

Topological Properties
Globularity: 0.204957	Sterimol/B1: 3.4571	Sterimol/B2: 5.60264	Sterimol/B3: 5.8261
Sterimol/B4: 6.47712	Sterimol/L: 16.3044

Surface and Volume Properties
Accessible surface: 698.531	Positive charged surface: 407.554	Negative charged surface: 285.356	Volume: 385.25
Hydrophobic surface: 614.635	Hydrophilic surface: 83.896

Pharmacophoric Properties
Hydrogen bond donors: 1	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.