MMsINC Database Search


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MMsINC code: MMs03560946

Type: Neutral
Formula: C₁₅H₂₂ClNO₄

SMILES:

Clc1cc(cc(OC)c1OCCC)C(=O)NCCCOC

InChI:

InChI=1/C15H22ClNO4/c1-4-7-21-14-12(16)9-11(10-13(14)20-3)15(18)17-6-5-8-19-2/h9-10H,4-8H2,1-3H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.7768 kcal/mol

Physical Properties
Molecular Weight: 315.797 g/mol	logS: -3.23945	SlogP: 2.9037	Reactive groups: 0

Topological Properties
Globularity: 0.0213067	Sterimol/B1: 2.23932	Sterimol/B2: 2.89864	Sterimol/B3: 4.23303
Sterimol/B4: 7.39116	Sterimol/L: 19.8292

Surface and Volume Properties
Accessible surface: 613.686	Positive charged surface: 451.568	Negative charged surface: 162.118	Volume: 305.125
Hydrophobic surface: 526.551	Hydrophilic surface: 87.135

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.