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MMsINC code: MMs02675300

Type: Neutral
Formula: C₁₆H₁₆N₂O₄

SMILES:

OC(=O)C(NC(=O)Cc1c2c(ccc1)cccc2)CC(=O)N

InChI:

InChI=1/C16H16N2O4/c17-14(19)9-13(16(21)22)18-15(20)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,13H,8-9H2,(H2,17,19)(H,18,20)(H,21,22)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.5352 kcal/mol

Physical Properties
Molecular Weight: 300.314 g/mol	logS: -3.62668	SlogP: 0.82707	Reactive groups: 0

Topological Properties
Globularity: 0.0733465	Sterimol/B1: 2.6736	Sterimol/B2: 2.80917	Sterimol/B3: 4.31919
Sterimol/B4: 7.14636	Sterimol/L: 13.9556

Surface and Volume Properties
Accessible surface: 530.828	Positive charged surface: 313.448	Negative charged surface: 208.539	Volume: 277.875
Hydrophobic surface: 320.863	Hydrophilic surface: 209.965

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02675301
PUBCHEM-ZINC00399859