MMsINC Database Search


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MMsINC code: MMs01073247

Type: Neutral
Formula: C₁₅H₁₃NO₃

SMILES:

OC(=O)c1cc(NC(=O)Cc2ccccc2)ccc1

InChI:

InChI=1/C15H13NO3/c17-14(9-11-5-2-1-3-6-11)16-13-8-4-7-12(10-13)15(18)19/h1-8,10H,9H2,(H,16,17)(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.7456 kcal/mol

Physical Properties
Molecular Weight: 255.273 g/mol	logS: -3.38574	SlogP: 2.56597	Reactive groups: 0

Topological Properties
Globularity: 0.0681739	Sterimol/B1: 3.26269	Sterimol/B2: 3.79397	Sterimol/B3: 4.09488
Sterimol/B4: 5.73187	Sterimol/L: 13.9855

Surface and Volume Properties
Accessible surface: 488.626	Positive charged surface: 284.356	Negative charged surface: 204.27	Volume: 241.75
Hydrophobic surface: 355.169	Hydrophilic surface: 133.457

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs01073248
CHEMSTAR-ZINC00151360