MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00482112

Type: Neutral
Formula: C₁₆H₁₆N₂O₂

SMILES:

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

InChI:

InChI=1/C16H16N2O2/c17-15(19)14(11-12-7-3-1-4-8-12)18-16(20)13-9-5-2-6-10-13/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)=68.6796 kcal/mol

Physical Properties
Molecular Weight: 268.316 g/mol	logS: -3.63894	SlogP: 1.51297	Reactive groups: 0

Topological Properties
Globularity: 0.142758	Sterimol/B1: 2.51338	Sterimol/B2: 3.26983	Sterimol/B3: 4.01309
Sterimol/B4: 9.25178	Sterimol/L: 12.8596

Surface and Volume Properties
Accessible surface: 505.816	Positive charged surface: 276.682	Negative charged surface: 229.134	Volume: 266.25
Hydrophobic surface: 381.412	Hydrophilic surface: 124.404

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.