MMsINC Database Search


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MMsINC code: MMs01620597

Type: Neutral
Formula: C₁₇H₁₄N₂O₃

SMILES:

O(C(=O)c1[nH]c2c(c1)cccc2)CC(=O)Nc1ccccc1

InChI:

InChI=1/C17H14N2O3/c20-16(18-13-7-2-1-3-8-13)11-22-17(21)15-10-12-6-4-5-9-14(12)19-15/h1-10,19H,11H2,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.4546 kcal/mol

Physical Properties
Molecular Weight: 294.31 g/mol	logS: -4.20586	SlogP: 2.9634	Reactive groups: 0

Topological Properties
Globularity: 0.0102562	Sterimol/B1: 2.68786	Sterimol/B2: 2.73257	Sterimol/B3: 2.8408
Sterimol/B4: 6.02778	Sterimol/L: 18.7204

Surface and Volume Properties
Accessible surface: 552.418	Positive charged surface: 308.173	Negative charged surface: 239.103	Volume: 277.875
Hydrophobic surface: 437.977	Hydrophilic surface: 114.441

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.