MMsINC Database Search


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MMsINC code: MMs01744155

Type: Neutral
Formula: C₁₉H₂₀N₂O₃

SMILES:

O(C)c1cc2c([nH]cc2CCNC(OCc2ccccc2)=O)cc1

InChI:

InChI=1/C19H20N2O3/c1-23-16-7-8-18-17(11-16)15(12-21-18)9-10-20-19(22)24-13-14-5-3-2-4-6-14/h2-8,11-12,21H,9-10,13H2,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.4501 kcal/mol

Physical Properties
Molecular Weight: 324.38 g/mol	logS: -3.77748	SlogP: 3.91177	Reactive groups: 0

Topological Properties
Globularity: 0.0254158	Sterimol/B1: 2.5635	Sterimol/B2: 3.27571	Sterimol/B3: 3.46918
Sterimol/B4: 8.63319	Sterimol/L: 18.9468

Surface and Volume Properties
Accessible surface: 630.333	Positive charged surface: 412.616	Negative charged surface: 212.854	Volume: 319.125
Hydrophobic surface: 501.883	Hydrophilic surface: 128.45

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.