MMsINC Database Search


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MMsINC code: MMs00850539

Type: Neutral
Formula: C₁₄H₁₆N₂O₃

SMILES:

o1nc(cc1-c1cc(OC)ccc1)C(=O)NC(C)C

InChI:

InChI=1/C14H16N2O3/c1-9(2)15-14(17)12-8-13(19-16-12)10-5-4-6-11(7-10)18-3/h4-9H,1-3H3,(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.6894 kcal/mol

Physical Properties
Molecular Weight: 260.293 g/mol	logS: -3.43026	SlogP: 2.4884	Reactive groups: 0

Topological Properties
Globularity: 0.0203363	Sterimol/B1: 2.18352	Sterimol/B2: 3.76219	Sterimol/B3: 4.09656
Sterimol/B4: 4.34433	Sterimol/L: 17.5104

Surface and Volume Properties
Accessible surface: 510.72	Positive charged surface: 324.093	Negative charged surface: 186.627	Volume: 252.25
Hydrophobic surface: 381.461	Hydrophilic surface: 129.259

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.