MMsINC Database Search


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MMsINC code: MMs01181165

Type: Neutral
Formula: C₂₄H₂₀N₂O₄

SMILES:

O1c2cc(ccc2OC1)CN(C(=O)CN1Cc2c(cccc2)C1=O)c1ccccc1

InChI:

InChI=1/C24H20N2O4/c27-23(15-25-14-18-6-4-5-9-20(18)24(25)28)26(19-7-2-1-3-8-19)13-17-10-11-21-22(12-17)30-16-29-21/h1-12H,13-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.543 kcal/mol

Physical Properties
Molecular Weight: 400.434 g/mol	logS: -5.16086	SlogP: 4.1373	Reactive groups: 0

Topological Properties
Globularity: 0.0997127	Sterimol/B1: 2.46868	Sterimol/B2: 3.2371	Sterimol/B3: 5.29534
Sterimol/B4: 9.84968	Sterimol/L: 17.6726

Surface and Volume Properties
Accessible surface: 663.754	Positive charged surface: 414.241	Negative charged surface: 249.514	Volume: 378.875
Hydrophobic surface: 535.442	Hydrophilic surface: 128.312

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.