MMsINC Database Search


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MMsINC code: MMs00092919

Type: Neutral
Formula: C₁₉H₁₈N₂O₃

SMILES:

O(C)c1cc(ccc1OC)-c1nc(OC)nc(c1)-c1ccccc1

InChI:

InChI=1/C19H18N2O3/c1-22-17-10-9-14(11-18(17)23-2)16-12-15(20-19(21-16)24-3)13-7-5-4-6-8-13/h4-12H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.6932 kcal/mol

Physical Properties
Molecular Weight: 322.364 g/mol	logS: -5.83098	SlogP: 3.8364	Reactive groups: 0

Topological Properties
Globularity: 0.0079257	Sterimol/B1: 2.40496	Sterimol/B2: 2.64775	Sterimol/B3: 2.89848
Sterimol/B4: 9.28872	Sterimol/L: 16.4543

Surface and Volume Properties
Accessible surface: 598.493	Positive charged surface: 410.039	Negative charged surface: 177.08	Volume: 314.75
Hydrophobic surface: 527.735	Hydrophilic surface: 70.758

Pharmacophoric Properties
Hydrogen bond donors: 0	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.