MMsINC Database Search


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MMsINC code: MMs00593877

Type: Neutral
Formula: C₁₈H₁₆N₂O₂

SMILES:

O(C)c1ccccc1NC(=O)Nc1cc2c(cc1)cccc2

InChI:

InChI=1/C18H16N2O2/c1-22-17-9-5-4-8-16(17)20-18(21)19-15-11-10-13-6-2-3-7-14(13)12-15/h2-12H,1H3,(H2,19,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.436 kcal/mol

Physical Properties
Molecular Weight: 292.338 g/mol	logS: -5.18031	SlogP: 4.4924	Reactive groups: 0

Topological Properties
Globularity: 0.013316	Sterimol/B1: 2.4741	Sterimol/B2: 2.97079	Sterimol/B3: 3.0242
Sterimol/B4: 6.82295	Sterimol/L: 16.7663

Surface and Volume Properties
Accessible surface: 547.431	Positive charged surface: 335.539	Negative charged surface: 201.534	Volume: 285.375
Hydrophobic surface: 485.093	Hydrophilic surface: 62.338

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