MMsINC Database Search


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MMsINC code: MMs00067597

Type: Neutral
Formula: C₁₆H₁₅NO₄

SMILES:

O1c2cc(NC(=O)COc3cc(ccc3)C)ccc2OC1

InChI:

InChI=1/C16H15NO4/c1-11-3-2-4-13(7-11)19-9-16(18)17-12-5-6-14-15(8-12)21-10-20-14/h2-8H,9-10H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.0798 kcal/mol

Physical Properties
Molecular Weight: 285.299 g/mol	logS: -3.86071	SlogP: 2.74122	Reactive groups: 0

Topological Properties
Globularity: 0.0132518	Sterimol/B1: 2.33172	Sterimol/B2: 2.59786	Sterimol/B3: 3.12919
Sterimol/B4: 5.80536	Sterimol/L: 18.5871

Surface and Volume Properties
Accessible surface: 535.477	Positive charged surface: 335.147	Negative charged surface: 200.33	Volume: 266.125
Hydrophobic surface: 424.404	Hydrophilic surface: 111.073

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.