MMsINC Database Search


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MMsINC code: MMs01338306

Type: Neutral
Formula: C₂₄H₂₃NO₄

SMILES:

O(Cc1ccccc1)c1ccc(NC(=O)COC(=O)CCc2ccccc2)cc1

InChI:

InChI=1/C24H23NO4/c26-23(18-29-24(27)16-11-19-7-3-1-4-8-19)25-21-12-14-22(15-13-21)28-17-20-9-5-2-6-10-20/h1-10,12-15H,11,16-18H2,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.262 kcal/mol

Physical Properties
Molecular Weight: 389.451 g/mol	logS: -5.52471	SlogP: 4.64647	Reactive groups: 1

Topological Properties
Globularity: 0.0232357	Sterimol/B1: 2.39716	Sterimol/B2: 3.56838	Sterimol/B3: 3.77794
Sterimol/B4: 6.39306	Sterimol/L: 24.7374

Surface and Volume Properties
Accessible surface: 737.954	Positive charged surface: 433.31	Negative charged surface: 304.643	Volume: 385.375
Hydrophobic surface: 642.318	Hydrophilic surface: 95.636

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.