MMsINC Database Search


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MMsINC code: MMs00697696

Type: Neutral
Formula: C₂₄H₂₄N₂O₅

SMILES:

O(C)c1ccc(OC)cc1NC(=O)COc1ccc(cc1)C(=O)Nc1ccccc1C

InChI:

InChI=1/C24H24N2O5/c1-16-6-4-5-7-20(16)26-24(28)17-8-10-18(11-9-17)31-15-23(27)25-21-14-19(29-2)12-13-22(21)30-3/h4-14H,15H2,1-3H3,(H,25,27)(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=152.142 kcal/mol

Physical Properties
Molecular Weight: 420.465 g/mol	logS: -5.66291	SlogP: 4.28202	Reactive groups: 0

Topological Properties
Globularity: 0.0165649	Sterimol/B1: 2.31883	Sterimol/B2: 3.98001	Sterimol/B3: 4.76527
Sterimol/B4: 7.02625	Sterimol/L: 23.0468

Surface and Volume Properties
Accessible surface: 742.579	Positive charged surface: 492.48	Negative charged surface: 250.099	Volume: 401.375
Hydrophobic surface: 644.444	Hydrophilic surface: 98.135

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.