MMsINC Database Search


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MMsINC code: MMs00263067

Type: Neutral
Formula: C₁₄H₁₅ClN₂O₃

SMILES:

Clc1ccccc1-c1noc(C)c1C(=O)NCCOC

InChI:

InChI=1/C14H15ClN2O3/c1-9-12(14(18)16-7-8-19-2)13(17-20-9)10-5-3-4-6-11(10)15/h3-6H,7-8H2,1-2H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.232 kcal/mol

Physical Properties
Molecular Weight: 294.738 g/mol	logS: -3.76286	SlogP: 2.67962	Reactive groups: 0

Topological Properties
Globularity: 0.188408	Sterimol/B1: 2.52548	Sterimol/B2: 3.95954	Sterimol/B3: 4.99794
Sterimol/B4: 8.66089	Sterimol/L: 12.8573

Surface and Volume Properties
Accessible surface: 535.239	Positive charged surface: 315.58	Negative charged surface: 219.66	Volume: 269.5
Hydrophobic surface: 477.83	Hydrophilic surface: 57.409

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.