MMsINC Database Search


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MMsINC code: MMs02702082

Type: Neutral
Formula: C₁₈H₁₉ClN₂O₃

SMILES:

Clc1cc(NC(=O)c2ccc(OC)cc2)c(N2CCOCC2)cc1

InChI:

InChI=1/C18H19ClN2O3/c1-23-15-5-2-13(3-6-15)18(22)20-16-12-14(19)4-7-17(16)21-8-10-24-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=156.281 kcal/mol

Physical Properties
Molecular Weight: 346.814 g/mol	logS: -4.35843	SlogP: 3.4375	Reactive groups: 0

Topological Properties
Globularity: 0.066513	Sterimol/B1: 3.10317	Sterimol/B2: 3.71502	Sterimol/B3: 4.29862
Sterimol/B4: 8.58518	Sterimol/L: 15.3843

Surface and Volume Properties
Accessible surface: 584.332	Positive charged surface: 377.355	Negative charged surface: 206.977	Volume: 319
Hydrophobic surface: 523.56	Hydrophilic surface: 60.772

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.