MMsINC Database Search


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MMsINC code: MMs00454206

Type: Neutral
Formula: C₁₇H₁₄N₂O₃

SMILES:

O(C(=O)Nc1ccccc1)C1=CC(=O)N(c2c1cccc2)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.4584 kcal/mol

Physical Properties
Molecular Weight: 294.31 g/mol	logS: -4.15647	SlogP: 3.2526	Reactive groups: 0

Topological Properties
Globularity: 0.0854786	Sterimol/B1: 3.41165	Sterimol/B2: 3.94861	Sterimol/B3: 4.29331
Sterimol/B4: 5.96699	Sterimol/L: 15.2375

Surface and Volume Properties
Accessible surface: 518.275	Positive charged surface: 308.569	Negative charged surface: 209.706	Volume: 275.25
Hydrophobic surface: 430.379	Hydrophilic surface: 87.896

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.