MMsINC Database Search


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MMsINC code: MMs03657145

Type: Neutral
Formula: C₁₈H₂₀N₂O₂

SMILES:

Oc1ccc(cc1/C(=N\N=C(\C)/c1cc(ccc1O)C)/C)C

InChI:

InChI=1/C18H20N2O2/c1-11-5-7-17(21)15(9-11)13(3)19-20-14(4)16-10-12(2)6-8-18(16)22/h5-10,21-22H,1-4H3/b19-13-,20-14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.22 kcal/mol

Physical Properties
Molecular Weight: 296.37 g/mol	logS: -4.32916	SlogP: 3.94784	Reactive groups: 0

Topological Properties
Globularity: 0.113923	Sterimol/B1: 4.01228	Sterimol/B2: 4.25203	Sterimol/B3: 4.81407
Sterimol/B4: 5.59417	Sterimol/L: 13.9018

Surface and Volume Properties
Accessible surface: 559.712	Positive charged surface: 360.191	Negative charged surface: 199.521	Volume: 304.25
Hydrophobic surface: 489.154	Hydrophilic surface: 70.558

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.