MMsINC Database Search


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MMsINC code: MMs02334125

Type: Neutral
Formula: C₁₆H₁₆N₂O₂

SMILES:

O=C(NC)c1ccccc1-c1ccccc1C(=O)NC

InChI:

InChI=1/C16H16N2O2/c1-17-15(19)13-9-5-3-7-11(13)12-8-4-6-10-14(12)16(20)18-2/h3-10H,1-2H3,(H,17,19)(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.0475 kcal/mol

Physical Properties
Molecular Weight: 268.316 g/mol	logS: -4.10352	SlogP: 2.0728	Reactive groups: 0

Topological Properties
Globularity: 0.486228	Sterimol/B1: 2.18063	Sterimol/B2: 2.41464	Sterimol/B3: 7.0956
Sterimol/B4: 7.46427	Sterimol/L: 11.7791

Surface and Volume Properties
Accessible surface: 490.473	Positive charged surface: 346.719	Negative charged surface: 142.635	Volume: 260.875
Hydrophobic surface: 439.117	Hydrophilic surface: 51.356

Pharmacophoric Properties
Hydrogen bond donors: 2	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.