MMsINC Database Search


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MMsINC code: MMs03447959

Type: Neutral
Formula: C₁₈H₂₀N₂O₃

SMILES:

O(C)c1cc(ccc1OC)/C(=N\NC(=O)c1ccc(cc1)C)/C

InChI:

InChI=1/C18H20N2O3/c1-12-5-7-14(8-6-12)18(21)20-19-13(2)15-9-10-16(22-3)17(11-15)23-4/h5-11H,1-4H3,(H,20,21)/b19-13-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.247 kcal/mol

Physical Properties
Molecular Weight: 312.369 g/mol	logS: -4.41899	SlogP: 3.16622	Reactive groups: 0

Topological Properties
Globularity: 0.0650269	Sterimol/B1: 3.1331	Sterimol/B2: 4.32382	Sterimol/B3: 5.05673
Sterimol/B4: 7.19728	Sterimol/L: 16.0722

Surface and Volume Properties
Accessible surface: 583.919	Positive charged surface: 394.55	Negative charged surface: 189.369	Volume: 309.875
Hydrophobic surface: 507.215	Hydrophilic surface: 76.704

Pharmacophoric Properties
Hydrogen bond donors: 1	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.