MMsINC Database Search


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MMsINC code: MMs00663092

Type: Neutral
Formula: C₂₃H₁₈N₂O₃

SMILES:

O=C1N(C(=O)c2c1cccc2)c1cc(ccc1)C(=O)Nc1c(cccc1C)C

InChI:

InChI=1/C23H18N2O3/c1-14-7-5-8-15(2)20(14)24-21(26)16-9-6-10-17(13-16)25-22(27)18-11-3-4-12-19(18)23(25)28/h3-13H,1-2H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.005 kcal/mol

Physical Properties
Molecular Weight: 370.408 g/mol	logS: -6.04952	SlogP: 4.35634	Reactive groups: 0

Topological Properties
Globularity: 0.043278	Sterimol/B1: 2.30705	Sterimol/B2: 2.64992	Sterimol/B3: 5.6148
Sterimol/B4: 7.38292	Sterimol/L: 18.9171

Surface and Volume Properties
Accessible surface: 614.597	Positive charged surface: 330.635	Negative charged surface: 283.962	Volume: 351.125
Hydrophobic surface: 522.301	Hydrophilic surface: 92.296

Pharmacophoric Properties
Hydrogen bond donors: 1	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.