MMsINC Database Search


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MMsINC code: MMs02686814

Type: Neutral
Formula: C₁₅H₁₃NO₄

SMILES:

O(C(=O)C)c1cc(ccc1)C(=O)Nc1ccccc1O

InChI:

InChI=1/C15H13NO4/c1-10(17)20-12-6-4-5-11(9-12)15(19)16-13-7-2-3-8-14(13)18/h2-9,18H,1H3,(H,16,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.4072 kcal/mol

Physical Properties
Molecular Weight: 271.272 g/mol	logS: -3.34644	SlogP: 2.5698	Reactive groups: 0

Topological Properties
Globularity: 0.0167106	Sterimol/B1: 2.56577	Sterimol/B2: 3.02083	Sterimol/B3: 3.17446
Sterimol/B4: 6.53363	Sterimol/L: 16.2437

Surface and Volume Properties
Accessible surface: 508.239	Positive charged surface: 285.186	Negative charged surface: 223.053	Volume: 250.75
Hydrophobic surface: 385.703	Hydrophilic surface: 122.536

Pharmacophoric Properties
Hydrogen bond donors: 2	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.