MMsINC Database Search


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MMsINC code: MMs02339120

Type: Neutral
Formula: C₁₆H₁₆N₂O₃

SMILES:

O(Cc1ccccc1)C(=O)NC(C(=O)N)c1ccccc1

InChI:

InChI=1/C16H16N2O3/c17-15(19)14(13-9-5-2-6-10-13)18-16(20)21-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H2,17,19)(H,18,20)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.9087 kcal/mol

Physical Properties
Molecular Weight: 284.315 g/mol	logS: -3.65429	SlogP: 2.5013	Reactive groups: 0

Topological Properties
Globularity: 0.073121	Sterimol/B1: 3.07459	Sterimol/B2: 3.37329	Sterimol/B3: 3.91495
Sterimol/B4: 5.78004	Sterimol/L: 16.0911

Surface and Volume Properties
Accessible surface: 544.129	Positive charged surface: 307.506	Negative charged surface: 236.624	Volume: 275.875
Hydrophobic surface: 399.018	Hydrophilic surface: 145.111

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.