MMsINC Database Search


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MMsINC code: MMs01974143

Type: Neutral
Formula: C₁₇H₁₄N₂O₃

SMILES:

Oc1ccccc1NC1=CC(=O)N(Cc2ccccc2)C1=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.0753 kcal/mol

Physical Properties
Molecular Weight: 294.31 g/mol	logS: -3.76139	SlogP: 2.5234	Reactive groups: 1

Topological Properties
Globularity: 0.086501	Sterimol/B1: 2.73444	Sterimol/B2: 2.85222	Sterimol/B3: 4.20592
Sterimol/B4: 6.9011	Sterimol/L: 13.9386

Surface and Volume Properties
Accessible surface: 515.232	Positive charged surface: 294.806	Negative charged surface: 220.426	Volume: 275.5
Hydrophobic surface: 380.074	Hydrophilic surface: 135.158

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.