MMsINC Database Search


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MMsINC code: MMs00587899

Type: Neutral
Formula: C₁₈H₁₆N₂O₂

SMILES:

O(C(=O)N(C)c1ccccc1)c1c2nc(ccc2ccc1)C

InChI:

InChI=1/C18H16N2O2/c1-13-11-12-14-7-6-10-16(17(14)19-13)22-18(21)20(2)15-8-4-3-5-9-15/h3-12H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.4313 kcal/mol

Physical Properties
Molecular Weight: 292.338 g/mol	logS: -4.19206	SlogP: 4.17842	Reactive groups: 0

Topological Properties
Globularity: 0.127823	Sterimol/B1: 2.11348	Sterimol/B2: 3.72222	Sterimol/B3: 4.33461
Sterimol/B4: 8.87126	Sterimol/L: 14.3876

Surface and Volume Properties
Accessible surface: 542.409	Positive charged surface: 334.764	Negative charged surface: 202.393	Volume: 289.75
Hydrophobic surface: 516.257	Hydrophilic surface: 26.152

Pharmacophoric Properties
Hydrogen bond donors: 0	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.