MMsINC Database Search


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MMsINC code: MMs03420235

Type: Neutral
Formula: C₂₃H₁₈N₂O₄

SMILES:

Oc1ccc(cc1)C1N(Cc2cccnc2)C(=O)C(=O)C1C(=O)c1ccccc1

InChI:

InChI=1/C23H18N2O4/c26-18-10-8-16(9-11-18)20-19(21(27)17-6-2-1-3-7-17)22(28)23(29)25(20)14-15-5-4-12-24-13-15/h1-13,19-20,26H,14H2/t19-,20+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.331 kcal/mol

Physical Properties
Molecular Weight: 386.407 g/mol	logS: -3.90875	SlogP: 3.3008	Reactive groups: 0

Topological Properties
Globularity: 0.123105	Sterimol/B1: 3.2111	Sterimol/B2: 4.68375	Sterimol/B3: 5.6387
Sterimol/B4: 5.7652	Sterimol/L: 16.1297

Surface and Volume Properties
Accessible surface: 588.679	Positive charged surface: 331.892	Negative charged surface: 256.786	Volume: 355.125
Hydrophobic surface: 427.826	Hydrophilic surface: 160.853

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.