MMsINC Database Search


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MMsINC code: MMs01526343

Type: Neutral
Formula: C₂₃H₂₀N₂O₄

SMILES:

O(C(=O)c1ccccc1Cc1ccccc1)CC(=O)Nc1ccc(cc1)C(=O)N

InChI:

InChI=1/C23H20N2O4/c24-22(27)17-10-12-19(13-11-17)25-21(26)15-29-23(28)20-9-5-4-8-18(20)14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H2,24,27)(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.946 kcal/mol

Physical Properties
Molecular Weight: 388.423 g/mol	logS: -6.13154	SlogP: 3.17177	Reactive groups: 0

Topological Properties
Globularity: 0.0211773	Sterimol/B1: 3.52725	Sterimol/B2: 3.55753	Sterimol/B3: 3.59743
Sterimol/B4: 6.5251	Sterimol/L: 22.2755

Surface and Volume Properties
Accessible surface: 683.276	Positive charged surface: 401.422	Negative charged surface: 281.854	Volume: 371.25
Hydrophobic surface: 506.204	Hydrophilic surface: 177.072

Pharmacophoric Properties
Hydrogen bond donors: 2	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.