MMsINC Database Search


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MMsINC code: MMs00677516

Type: Neutral
Formula: C₂₄H₂₄N₂O₄

SMILES:

O(C)c1cc(ccc1)C(=O)NCc1cc(ccc1)CNC(=O)c1cc(OC)ccc1

InChI:

InChI=1/C24H24N2O4/c1-29-21-10-4-8-19(13-21)23(27)25-15-17-6-3-7-18(12-17)16-26-24(28)20-9-5-11-22(14-20)30-2/h3-14H,15-16H2,1-2H3,(H,25,27)(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.675 kcal/mol

Physical Properties
Molecular Weight: 404.466 g/mol	logS: -5.3137	SlogP: 4.0966	Reactive groups: 0

Topological Properties
Globularity: 0.0467072	Sterimol/B1: 2.06064	Sterimol/B2: 4.2033	Sterimol/B3: 4.22221
Sterimol/B4: 8.32253	Sterimol/L: 24.1168

Surface and Volume Properties
Accessible surface: 746.224	Positive charged surface: 484.269	Negative charged surface: 261.956	Volume: 398.875
Hydrophobic surface: 631.564	Hydrophilic surface: 114.66

Pharmacophoric Properties
Hydrogen bond donors: 2	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.