MMsINC Database Search


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MMsINC code: MMs02682544

Type: Neutral
Formula: C₁₈H₁₆N₂O₃

SMILES:

O1c2cc(NC(=O)Cc3c4c(n(c3)C)cccc4)ccc2OC1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.6628 kcal/mol

Physical Properties
Molecular Weight: 308.337 g/mol	logS: -3.55535	SlogP: 3.44737	Reactive groups: 0

Topological Properties
Globularity: 0.0866703	Sterimol/B1: 2.37402	Sterimol/B2: 3.24719	Sterimol/B3: 4.67095
Sterimol/B4: 7.54539	Sterimol/L: 16.5298

Surface and Volume Properties
Accessible surface: 561.43	Positive charged surface: 372.361	Negative charged surface: 185.703	Volume: 292.125
Hydrophobic surface: 455.002	Hydrophilic surface: 106.428

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.