MMsINC Database Search


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MMsINC code: MMs01228840

Type: Neutral
Formula: C₁₇H₁₄N₂O₃

SMILES:

O=C1N(Cc2ccc(NC(=O)C)cc2)C(=O)c2c1cccc2

InChI:

InChI=1/C17H14N2O3/c1-11(20)18-13-8-6-12(7-9-13)10-19-16(21)14-4-2-3-5-15(14)17(19)22/h2-9H,10H2,1H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.269 kcal/mol

Physical Properties
Molecular Weight: 294.31 g/mol	logS: -3.91208	SlogP: 2.7076	Reactive groups: 0

Topological Properties
Globularity: 0.106182	Sterimol/B1: 2.94189	Sterimol/B2: 3.01022	Sterimol/B3: 5.02103
Sterimol/B4: 5.22251	Sterimol/L: 16.2796

Surface and Volume Properties
Accessible surface: 523.588	Positive charged surface: 299.351	Negative charged surface: 224.237	Volume: 277.5
Hydrophobic surface: 393.034	Hydrophilic surface: 130.554

Pharmacophoric Properties
Hydrogen bond donors: 1	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.