MMsINC Database Search


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MMsINC code: MMs00920285

Type: Neutral
Formula: C₁₈H₁₆N₂O₃

SMILES:

o1nc(cc1-c1ccccc1O)C(=O)N(Cc1ccccc1)C

InChI:

InChI=1/C18H16N2O3/c1-20(12-13-7-3-2-4-8-13)18(22)15-11-17(23-19-15)14-9-5-6-10-16(14)21/h2-11,21H,12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.7675 kcal/mol

Physical Properties
Molecular Weight: 308.337 g/mol	logS: -4.02542	SlogP: 3.5858	Reactive groups: 0

Topological Properties
Globularity: 0.0876113	Sterimol/B1: 2.10872	Sterimol/B2: 3.24434	Sterimol/B3: 4.58027
Sterimol/B4: 6.71288	Sterimol/L: 16.838

Surface and Volume Properties
Accessible surface: 549.455	Positive charged surface: 335.018	Negative charged surface: 214.437	Volume: 295.875
Hydrophobic surface: 454.859	Hydrophilic surface: 94.596

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.