MMsINC Database Search


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MMsINC code: MMs03235532

Type: Neutral
Formula: C₁₉H₂₀N₂O₃

SMILES:

O(C)c1cc2c(n(Cc3ccccc3)c(C)c2CC(=O)NO)cc1

InChI:

InChI=1/C19H20N2O3/c1-13-16(11-19(22)20-23)17-10-15(24-2)8-9-18(17)21(13)12-14-6-4-3-5-7-14/h3-10,23H,11-12H2,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.495 kcal/mol

Physical Properties
Molecular Weight: 324.38 g/mol	logS: -3.81744	SlogP: 3.32089	Reactive groups: 0

Topological Properties
Globularity: 0.101353	Sterimol/B1: 2.10273	Sterimol/B2: 3.32955	Sterimol/B3: 3.83719
Sterimol/B4: 10.2844	Sterimol/L: 14.9133

Surface and Volume Properties
Accessible surface: 576.572	Positive charged surface: 363.072	Negative charged surface: 209.639	Volume: 318.375
Hydrophobic surface: 435.799	Hydrophilic surface: 140.773

Pharmacophoric Properties
Hydrogen bond donors: 2	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.