MMsINC Database Search


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MMsINC code: MMs02347135

Type: Neutral
Formula: C₁₇H₁₄N₂O₂

SMILES:

O(Cc1cc2c(nc1)cccc2)C(=O)Nc1ccccc1

InChI:

InChI=1/C17H14N2O2/c20-17(19-15-7-2-1-3-8-15)21-12-13-10-14-6-4-5-9-16(14)18-11-13/h1-11H,12H2,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.2365 kcal/mol

Physical Properties
Molecular Weight: 278.311 g/mol	logS: -4.02023	SlogP: 4.2499	Reactive groups: 0

Topological Properties
Globularity: 0.0436873	Sterimol/B1: 3.00496	Sterimol/B2: 3.57111	Sterimol/B3: 3.78798
Sterimol/B4: 4.14238	Sterimol/L: 18.2845

Surface and Volume Properties
Accessible surface: 536.132	Positive charged surface: 318.826	Negative charged surface: 211.613	Volume: 268.375
Hydrophobic surface: 447.513	Hydrophilic surface: 88.619

Pharmacophoric Properties
Hydrogen bond donors: 1	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.