MMsINC Database Search


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MMsINC code: MMs00339660

Type: Neutral
Formula: C₁₆H₁₆N₂O₃

SMILES:

O(C(=O)c1cccnc1)CC(=O)Nc1cc(C)c(cc1)C

InChI:

InChI=1/C16H16N2O3/c1-11-5-6-14(8-12(11)2)18-15(19)10-21-16(20)13-4-3-7-17-9-13/h3-9H,10H2,1-2H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.2943 kcal/mol

Physical Properties
Molecular Weight: 284.315 g/mol	logS: -3.45274	SlogP: 2.49394	Reactive groups: 0

Topological Properties
Globularity: 0.0168482	Sterimol/B1: 2.54136	Sterimol/B2: 2.79543	Sterimol/B3: 3.07622
Sterimol/B4: 5.4901	Sterimol/L: 17.8285

Surface and Volume Properties
Accessible surface: 547.774	Positive charged surface: 356.15	Negative charged surface: 191.623	Volume: 277.125
Hydrophobic surface: 446.545	Hydrophilic surface: 101.229

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.