MMsINC Database Search


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MMsINC code: MMs01367160

Type: Neutral
Formula: C₂₄H₂₄N₂O₄

SMILES:

O(C)c1cc(NC(=O)C(OC(=O)c2cc(N(C)C)ccc2)c2ccccc2)ccc1

InChI:

InChI=1/C24H24N2O4/c1-26(2)20-13-7-11-18(15-20)24(28)30-22(17-9-5-4-6-10-17)23(27)25-19-12-8-14-21(16-19)29-3/h4-16,22H,1-3H3,(H,25,27)/t22-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.562 kcal/mol

Physical Properties
Molecular Weight: 404.466 g/mol	logS: -5.50873	SlogP: 4.3935	Reactive groups: 0

Topological Properties
Globularity: 0.0552306	Sterimol/B1: 4.08651	Sterimol/B2: 4.12687	Sterimol/B3: 4.36464
Sterimol/B4: 8.04708	Sterimol/L: 21.3653

Surface and Volume Properties
Accessible surface: 716.144	Positive charged surface: 480.955	Negative charged surface: 235.189	Volume: 397.125
Hydrophobic surface: 646.784	Hydrophilic surface: 69.36

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.