MMsINC Database Search


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MMsINC code: MMs02372749

Type: Neutral
Formula: C₂₄H₂₀N₂O₄

SMILES:

O(C(=O)c1c2c3c(n(c2c2n(c4c(c2c1C(OC)=O)cccc4)C)C)cccc3)C

InChI:

InChI=1/C24H20N2O4/c1-25-15-11-7-5-9-13(15)17-19(23(27)29-3)20(24(28)30-4)18-14-10-6-8-12-16(14)26(2)22(18)21(17)25/h5-12H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.34 kcal/mol

Physical Properties
Molecular Weight: 400.434 g/mol	logS: -6.20952	SlogP: 5.268	Reactive groups: 0

Topological Properties
Globularity: 0.0358296	Sterimol/B1: 1.969	Sterimol/B2: 3.42909	Sterimol/B3: 3.47393
Sterimol/B4: 10.2504	Sterimol/L: 15.5791

Surface and Volume Properties
Accessible surface: 622.613	Positive charged surface: 381.348	Negative charged surface: 217.496	Volume: 378.25
Hydrophobic surface: 565.896	Hydrophilic surface: 56.717

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.