MMsINC Database Search


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MMsINC code: MMs01261955

Type: Neutral
Formula: C₁₈H₁₆N₂O₂

SMILES:

O(C)c1ccccc1CNC(=O)c1nc2c(cc1)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.6389 kcal/mol

Physical Properties
Molecular Weight: 292.338 g/mol	logS: -4.09075	SlogP: 3.4398	Reactive groups: 0

Topological Properties
Globularity: 0.125467	Sterimol/B1: 2.45412	Sterimol/B2: 3.84633	Sterimol/B3: 5.98072
Sterimol/B4: 7.24157	Sterimol/L: 15.1873

Surface and Volume Properties
Accessible surface: 563.87	Positive charged surface: 350.877	Negative charged surface: 207.588	Volume: 286.625
Hydrophobic surface: 488.977	Hydrophilic surface: 74.893

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.