MMsINC Database Search


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MMsINC code: MMs00798940

Type: Neutral
Formula: C₁₆H₁₆N₂O₂

SMILES:

O(CC=C)c1ccc(cc1)C(=O)NCc1ccncc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.9599 kcal/mol

Physical Properties
Molecular Weight: 268.316 g/mol	logS: -2.58738	SlogP: 2.8428	Reactive groups: 0

Topological Properties
Globularity: 0.0445433	Sterimol/B1: 2.32004	Sterimol/B2: 3.24619	Sterimol/B3: 4.0671
Sterimol/B4: 6.93474	Sterimol/L: 16.9517

Surface and Volume Properties
Accessible surface: 541.227	Positive charged surface: 345.178	Negative charged surface: 196.049	Volume: 270.625
Hydrophobic surface: 410.868	Hydrophilic surface: 130.359

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.