MMsINC Database Search


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MMsINC code: MMs00612690

Type: Neutral
Formula: C₁₆H₁₆N₂O₄

SMILES:

O(C)c1ccc(cc1NC(=O)c1ccc(OC)cc1)C(=O)N

InChI:

InChI=1/C16H16N2O4/c1-21-12-6-3-10(4-7-12)16(20)18-13-9-11(15(17)19)5-8-14(13)22-2/h3-9H,1-2H3,(H2,17,19)(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.8447 kcal/mol

Physical Properties
Molecular Weight: 300.314 g/mol	logS: -3.70775	SlogP: 2.055	Reactive groups: 0

Topological Properties
Globularity: 0.0171985	Sterimol/B1: 2.52337	Sterimol/B2: 3.12463	Sterimol/B3: 5.55782
Sterimol/B4: 5.5723	Sterimol/L: 17.0171

Surface and Volume Properties
Accessible surface: 542.654	Positive charged surface: 367.551	Negative charged surface: 175.103	Volume: 279.125
Hydrophobic surface: 390.168	Hydrophilic surface: 152.486

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.