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MMsINC code: MMs02846187

Type: Neutral
Formula: C₂₀H₁₇ClN₂O₃

SMILES:

Clc1ccc(cc1)C(=O)n1c2CCN(Cc2c2c1cc1OCOc1c2)C

InChI:

InChI=1/C20H17ClN2O3/c1-22-7-6-16-15(10-22)14-8-18-19(26-11-25-18)9-17(14)23(16)20(24)12-2-4-13(21)5-3-12/h2-5,8-9H,6-7,10-11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.921 kcal/mol

Physical Properties
Molecular Weight: 368.82 g/mol	logS: -4.62163	SlogP: 3.96617	Reactive groups: 0

Topological Properties
Globularity: 0.136784	Sterimol/B1: 3.70394	Sterimol/B2: 4.0525	Sterimol/B3: 4.63809
Sterimol/B4: 9.47324	Sterimol/L: 14.6658

Surface and Volume Properties
Accessible surface: 582.614	Positive charged surface: 356.41	Negative charged surface: 221.359	Volume: 332
Hydrophobic surface: 491.245	Hydrophilic surface: 91.369

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs02846188
PUBCHEM-ZINC02005899