MMsINC Database Search


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MMsINC code: MMs02712675

Type: Neutral
Formula: C₁₄H₁₉ClN₂O₃

SMILES:

Clc1cc(NC(=O)N2CC(OC(C2)C)C)c(OC)cc1

InChI:

InChI=1/C14H19ClN2O3/c1-9-7-17(8-10(2)20-9)14(18)16-12-6-11(15)4-5-13(12)19-3/h4-6,9-10H,7-8H2,1-3H3,(H,16,18)/t9-,10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.376 kcal/mol

Physical Properties
Molecular Weight: 298.77 g/mol	logS: -3.05277	SlogP: 2.9897	Reactive groups: 0

Topological Properties
Globularity: 0.0756284	Sterimol/B1: 2.6913	Sterimol/B2: 3.05183	Sterimol/B3: 4.16505
Sterimol/B4: 8.40718	Sterimol/L: 13.3139

Surface and Volume Properties
Accessible surface: 526.322	Positive charged surface: 348.989	Negative charged surface: 177.333	Volume: 276.625
Hydrophobic surface: 442.661	Hydrophilic surface: 83.661

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.