MMsINC Database Search


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MMsINC code: MMs01741421

Type: Neutral
Formula: C₁₆H₁₈N₂O₄

SMILES:

O(C)c1cc(C(=O)Nc2ccc(OC)cc2)c(N)cc1OC

InChI:

InChI=1/C16H18N2O4/c1-20-11-6-4-10(5-7-11)18-16(19)12-8-14(21-2)15(22-3)9-13(12)17/h4-9H,17H2,1-3H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.016 kcal/mol

Physical Properties
Molecular Weight: 302.33 g/mol	logS: -3.22689	SlogP: 2.5469	Reactive groups: 0

Topological Properties
Globularity: 0.0232881	Sterimol/B1: 2.533	Sterimol/B2: 3.47233	Sterimol/B3: 3.88378
Sterimol/B4: 6.59673	Sterimol/L: 18.287

Surface and Volume Properties
Accessible surface: 556.016	Positive charged surface: 427.756	Negative charged surface: 128.261	Volume: 284.625
Hydrophobic surface: 449.904	Hydrophilic surface: 106.112

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.