MMsINC Database Search


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MMsINC code: MMs02931308

Type: Neutral
Formula: C₁₄H₁₄N₂O₃

SMILES:

O(C)c1cc(OC)ccc1C(=O)Nc1ncccc1

InChI:

InChI=1/C14H14N2O3/c1-18-10-6-7-11(12(9-10)19-2)14(17)16-13-5-3-4-8-15-13/h3-9H,1-2H3,(H,15,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.3501 kcal/mol

Physical Properties
Molecular Weight: 258.277 g/mol	logS: -2.50875	SlogP: 2.3511	Reactive groups: 0

Topological Properties
Globularity: 0.00735828	Sterimol/B1: 2.06452	Sterimol/B2: 2.35932	Sterimol/B3: 2.39179
Sterimol/B4: 7.92451	Sterimol/L: 15.9541

Surface and Volume Properties
Accessible surface: 496.487	Positive charged surface: 365.259	Negative charged surface: 131.227	Volume: 246.125
Hydrophobic surface: 432.152	Hydrophilic surface: 64.335

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.