MMsINC Database Search


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MMsINC code: MMs02402490

Type: Neutral
Formula: C₁₆H₁₆N₂O₃

SMILES:

OC(=O)c1ccc(NC(=O)Nc2c(cccc2C)C)cc1

InChI:

InChI=1/C16H16N2O3/c1-10-4-3-5-11(2)14(10)18-16(21)17-13-8-6-12(7-9-13)15(19)20/h3-9H,1-2H3,(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)=78.2838 kcal/mol

Physical Properties
Molecular Weight: 284.315 g/mol	logS: -3.54239	SlogP: 3.64564	Reactive groups: 0

Topological Properties
Globularity: 0.0557146	Sterimol/B1: 2.20938	Sterimol/B2: 2.30295	Sterimol/B3: 4.17335
Sterimol/B4: 6.45905	Sterimol/L: 15.7387

Surface and Volume Properties
Accessible surface: 516.675	Positive charged surface: 300.296	Negative charged surface: 216.379	Volume: 271.625
Hydrophobic surface: 374.839	Hydrophilic surface: 141.836

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

MMs02402491
NCID-ZINC04771261