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MMsINC code: MMs02363312

Type: Neutral
Formula: C₁₆H₁₆N₂O₃

SMILES:

OC(=O)c1ccc(NC(=O)Nc2ccccc2CC)cc1

InChI:

InChI=1/C16H16N2O3/c1-2-11-5-3-4-6-14(11)18-16(21)17-13-9-7-12(8-10-13)15(19)20/h3-10H,2H2,1H3,(H,19,20)(H2,17,18,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.6081 kcal/mol

Physical Properties
Molecular Weight: 284.315 g/mol	logS: -3.89714	SlogP: 3.59117	Reactive groups: 0

Topological Properties
Globularity: 0.03459	Sterimol/B1: 2.4597	Sterimol/B2: 2.79009	Sterimol/B3: 3.32326
Sterimol/B4: 7.25721	Sterimol/L: 15.9755

Surface and Volume Properties
Accessible surface: 526.213	Positive charged surface: 313.969	Negative charged surface: 212.243	Volume: 271.5
Hydrophobic surface: 365.302	Hydrophilic surface: 160.911

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs02363313
NCID-ZINC01753462