MMsINC Database Search


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MMsINC code: MMs00122134

Type: Neutral
Formula: C₂₁H₁₄N₂O₃

SMILES:

O=C1N(C(=O)c2c1cc(cc2)C(=O)Nc1ccccc1)c1ccccc1

InChI:

InChI=1/C21H14N2O3/c24-19(22-15-7-3-1-4-8-15)14-11-12-17-18(13-14)21(26)23(20(17)25)16-9-5-2-6-10-16/h1-13H,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.186 kcal/mol

Physical Properties
Molecular Weight: 342.354 g/mol	logS: -5.72858	SlogP: 3.7395	Reactive groups: 0

Topological Properties
Globularity: 0.0059237	Sterimol/B1: 2.57119	Sterimol/B2: 2.8158	Sterimol/B3: 3.40582
Sterimol/B4: 5.36068	Sterimol/L: 20.1298

Surface and Volume Properties
Accessible surface: 584.335	Positive charged surface: 300.112	Negative charged surface: 284.223	Volume: 317.375
Hydrophobic surface: 473.669	Hydrophilic surface: 110.666

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.