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MMsINC code: MMs00664691

Type: Neutral
Formula: C₂₀H₁₄ClNO₄S

SMILES:

Clc1ccc(cc1)C(=O)C1C(N(Cc2occc2)C(=O)C1=O)c1sccc1

InChI:

InChI=1/C20H14ClNO4S/c21-13-7-5-12(6-8-13)18(23)16-17(15-4-2-10-27-15)22(20(25)19(16)24)11-14-3-1-9-26-14/h1-10,16-17H,11H2/t16-,17+/m1/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.2711 kcal/mol

Physical Properties
Molecular Weight: 399.854 g/mol	logS: -5.82137	SlogP: 4.5081	Reactive groups: 0

Topological Properties
Globularity: 0.161398	Sterimol/B1: 2.46853	Sterimol/B2: 3.63094	Sterimol/B3: 5.15703
Sterimol/B4: 9.96342	Sterimol/L: 16.104

Surface and Volume Properties
Accessible surface: 615.629	Positive charged surface: 244.623	Negative charged surface: 371.006	Volume: 343.375
Hydrophobic surface: 513.125	Hydrophilic surface: 102.504

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs00664693
CHEMBRIDGE-ZINC01121616