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MMsINC code: MMs03272952

Type: Neutral
Formula: C₂₃H₁₈N₂O₄

SMILES:

OC1=C(C(=O)c2ccccc2)C(N(Cc2cccnc2)C1=O)c1ccc(O)cc1

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/h1-13,20,26,28H,14H2/t20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.3617 kcal/mol

Physical Properties
Molecular Weight: 386.407 g/mol	logS: -4.01041	SlogP: 3.9276	Reactive groups: 1

Topological Properties
Globularity: 0.146053	Sterimol/B1: 2.9346	Sterimol/B2: 5.20304	Sterimol/B3: 5.42242
Sterimol/B4: 6.11582	Sterimol/L: 15.7117

Surface and Volume Properties
Accessible surface: 593.395	Positive charged surface: 359.602	Negative charged surface: 233.794	Volume: 360.375
Hydrophobic surface: 420.876	Hydrophilic surface: 172.519

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03272953
PUBCHEM-ZINC05448639