MMsINC Database Search


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MMsINC code: MMs00192327

Type: Neutral
Formula: C₂₅H₁₆N₂O₃

SMILES:

O=C1N(C(=O)c2c1cccc2)c1cc(ccc1)C(=O)Nc1cc2c(cc1)cccc2

InChI:

InChI=1/C25H16N2O3/c28-23(26-19-13-12-16-6-1-2-7-17(16)14-19)18-8-5-9-20(15-18)27-24(29)21-10-3-4-11-22(21)25(27)30/h1-15H,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.011 kcal/mol

Physical Properties
Molecular Weight: 392.414 g/mol	logS: -7.60646	SlogP: 4.8927	Reactive groups: 0

Topological Properties
Globularity: 0.0108178	Sterimol/B1: 2.63685	Sterimol/B2: 3.39725	Sterimol/B3: 3.51794
Sterimol/B4: 7.05191	Sterimol/L: 21.2499

Surface and Volume Properties
Accessible surface: 647.535	Positive charged surface: 324.398	Negative charged surface: 311.655	Volume: 364.5
Hydrophobic surface: 540.42	Hydrophilic surface: 107.115

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: 0

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Ions/Tautomers related molecules: no related molecules available.