MMsINC Database Search


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MMsINC code: MMs03764709

Type: Neutral
Formula: C₂₂H₁₈N₂O₄

SMILES:

O1C(C)(c2ccc(Oc3ccccc3)cc2)C(=O)N(Nc2ccccc2)C1=O

InChI:

InChI=1/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3/t22-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.563 kcal/mol

Physical Properties
Molecular Weight: 374.396 g/mol	logS: -5.66906	SlogP: 5.0115	Reactive groups: 0

Topological Properties
Globularity: 0.0736373	Sterimol/B1: 1.98869	Sterimol/B2: 4.07471	Sterimol/B3: 4.94623
Sterimol/B4: 9.58767	Sterimol/L: 17.3437

Surface and Volume Properties
Accessible surface: 630.379	Positive charged surface: 339.8	Negative charged surface: 290.579	Volume: 352.625
Hydrophobic surface: 514.984	Hydrophilic surface: 115.395

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.