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MMsINC code: MMs02846185

Type: Neutral
Formula: C₂₀H₁₇ClN₂O₃

SMILES:

Clc1cc(ccc1)C(=O)n1c2CCN(Cc2c2c1cc1OCOc1c2)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.094 kcal/mol

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

Topological Properties
Globularity: 0.14505	Sterimol/B1: 3.78706	Sterimol/B2: 4.61236	Sterimol/B3: 5.24255
Sterimol/B4: 9.11559	Sterimol/L: 13.7637

Surface and Volume Properties
Accessible surface: 583.913	Positive charged surface: 355.118	Negative charged surface: 223.95	Volume: 332.625
Hydrophobic surface: 492.823	Hydrophilic surface: 91.09

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

MMs02846186
PUBCHEM-ZINC02005895