MMsINC Database Search


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MMsINC code: MMs01895989

Type: Neutral
Formula: C₂₃H₁₈N₂O₄

SMILES:

O(C)c1cc(ccc1O)\C=C\C1=Nc2c(cccc2)C(=O)N1c1cc(O)ccc1

InChI:

InChI=1/C23H18N2O4/c1-29-21-13-15(9-11-20(21)27)10-12-22-24-19-8-3-2-7-18(19)23(28)25(22)16-5-4-6-17(26)14-16/h2-14,26-27H,1H3/b12-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.006 kcal/mol

Physical Properties
Molecular Weight: 386.407 g/mol	logS: -5.50952	SlogP: 4.5102	Reactive groups: 0

Topological Properties
Globularity: 0.0519847	Sterimol/B1: 3.48485	Sterimol/B2: 3.83445	Sterimol/B3: 3.92923
Sterimol/B4: 10.2322	Sterimol/L: 16.0486

Surface and Volume Properties
Accessible surface: 661.908	Positive charged surface: 399.731	Negative charged surface: 262.177	Volume: 361.625
Hydrophobic surface: 510.019	Hydrophilic surface: 151.889

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.