MMsINC Database Search


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MMsINC code: MMs00602080

Type: Neutral
Formula: C₁₆H₁₈N₂O₄

SMILES:

O(C)c1c(OC)cc(cc1OC)C(=O)Nc1ncccc1C

InChI:

InChI=1/C16H18N2O4/c1-10-6-5-7-17-15(10)18-16(19)11-8-12(20-2)14(22-4)13(9-11)21-3/h5-9H,1-4H3,(H,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.817 kcal/mol

Physical Properties
Molecular Weight: 302.33 g/mol	logS: -2.7196	SlogP: 2.66812	Reactive groups: 0

Topological Properties
Globularity: 0.0210243	Sterimol/B1: 2.69113	Sterimol/B2: 2.83999	Sterimol/B3: 4.058
Sterimol/B4: 7.38835	Sterimol/L: 15.9331

Surface and Volume Properties
Accessible surface: 556.876	Positive charged surface: 431.05	Negative charged surface: 125.825	Volume: 288.75
Hydrophobic surface: 488.864	Hydrophilic surface: 68.012

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.