MMsINC Database Search


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MMsINC code: MMs01354874

Type: Neutral
Formula: C₂₄H₂₀N₂O₅

SMILES:

O(C(=O)c1ccccc1C(=O)c1ccccc1)CC(=O)NC(=O)NCc1ccccc1

InChI:

InChI=1/C24H20N2O5/c27-21(26-24(30)25-15-17-9-3-1-4-10-17)16-31-23(29)20-14-8-7-13-19(20)22(28)18-11-5-2-6-12-18/h1-14H,15-16H2,(H2,25,26,27,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.4888 kcal/mol

Physical Properties
Molecular Weight: 416.433 g/mol	logS: -6.00842	SlogP: 3.3668	Reactive groups: 0

Topological Properties
Globularity: 0.0400356	Sterimol/B1: 3.78075	Sterimol/B2: 4.56033	Sterimol/B3: 5.11916
Sterimol/B4: 7.21987	Sterimol/L: 20.1729

Surface and Volume Properties
Accessible surface: 723.716	Positive charged surface: 411.436	Negative charged surface: 312.28	Volume: 389.75
Hydrophobic surface: 564.396	Hydrophilic surface: 159.32

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.