MMsINC Database Search


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MMsINC code: MMs02330507

Type: Neutral
Formula: C₁₇H₂₀N₂O₃

SMILES:

O(C)c1ccc(cc1)CNC(=O)NCc1ccc(OC)cc1

InChI:

InChI=1/C17H20N2O3/c1-21-15-7-3-13(4-8-15)11-18-17(20)19-12-14-5-9-16(22-2)10-6-14/h3-10H,11-12H2,1-2H3,(H2,18,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.0308 kcal/mol

Physical Properties
Molecular Weight: 300.358 g/mol	logS: -3.24089	SlogP: 3.236	Reactive groups: 1

Topological Properties
Globularity: 0.0613829	Sterimol/B1: 2.1894	Sterimol/B2: 3.52868	Sterimol/B3: 4.72696
Sterimol/B4: 6.98282	Sterimol/L: 19.1744

Surface and Volume Properties
Accessible surface: 600.349	Positive charged surface: 430.793	Negative charged surface: 169.556	Volume: 300.125
Hydrophobic surface: 500.898	Hydrophilic surface: 99.451

Pharmacophoric Properties
Hydrogen bond donors: 2	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.