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MMsINC code: MMs00915654

Type: Neutral
Formula: C₂₀H₁₉ClN₂O₅

SMILES:

Clc1cc(NC(=O)Cc2c3c(n(C)c2C(O)=O)cccc3)c(OC)cc1OC

InChI:

InChI=1/C20H19ClN2O5/c1-23-15-7-5-4-6-11(15)12(19(23)20(25)26)8-18(24)22-14-9-13(21)16(27-2)10-17(14)28-3/h4-7,9-10H,8H2,1-3H3,(H,22,24)(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.846 kcal/mol

Physical Properties
Molecular Weight: 402.834 g/mol	logS: -4.55762	SlogP: 4.08747	Reactive groups: 0

Topological Properties
Globularity: 0.113465	Sterimol/B1: 3.96473	Sterimol/B2: 4.34249	Sterimol/B3: 4.87789
Sterimol/B4: 7.40587	Sterimol/L: 16.7197

Surface and Volume Properties
Accessible surface: 654.362	Positive charged surface: 431.61	Negative charged surface: 219.416	Volume: 359.375
Hydrophobic surface: 533.122	Hydrophilic surface: 121.24

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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

MMs00915655
CHEMDIV-ZINC03660275