MMsINC Database Search


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MMsINC code: MMs00615484

Type: Neutral
Formula: C₁₆H₁₆N₂O₂

SMILES:

O=C(NC(=O)NC(C)c1ccccc1)c1ccccc1

InChI:

InChI=1/C16H16N2O2/c1-12(13-8-4-2-5-9-13)17-16(20)18-15(19)14-10-6-3-7-11-14/h2-12H,1H3,(H2,17,18,19,20)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.315 kcal/mol

Physical Properties
Molecular Weight: 268.316 g/mol	logS: -3.85465	SlogP: 2.9827	Reactive groups: 0

Topological Properties
Globularity: 0.0440194	Sterimol/B1: 2.18951	Sterimol/B2: 2.29391	Sterimol/B3: 4.85596
Sterimol/B4: 6.26393	Sterimol/L: 16.3198

Surface and Volume Properties
Accessible surface: 528.001	Positive charged surface: 289.877	Negative charged surface: 238.124	Volume: 266.75
Hydrophobic surface: 422.531	Hydrophilic surface: 105.47

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.