MMsINC Database Search


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MMsINC code: MMs00731597

Type: Neutral
Formula: C₂₄H₂₆N₂O₄

SMILES:

O(C(=O)c1ccc(NC(=O)Cn2cc(c3c2cccc3)C(=O)C(C)(C)C)cc1)CC

InChI:

InChI=1/C24H26N2O4/c1-5-30-23(29)16-10-12-17(13-11-16)25-21(27)15-26-14-19(22(28)24(2,3)4)18-8-6-7-9-20(18)26/h6-14H,5,15H2,1-4H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.242 kcal/mol

Physical Properties
Molecular Weight: 406.482 g/mol	logS: -5.19174	SlogP: 4.9519	Reactive groups: 0

Topological Properties
Globularity: 0.0660639	Sterimol/B1: 3.37156	Sterimol/B2: 4.72121	Sterimol/B3: 4.92059
Sterimol/B4: 7.01829	Sterimol/L: 20.7364

Surface and Volume Properties
Accessible surface: 715.258	Positive charged surface: 444.054	Negative charged surface: 265.985	Volume: 398.75
Hydrophobic surface: 544.071	Hydrophilic surface: 171.187

Pharmacophoric Properties
Hydrogen bond donors: 1	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.