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MMsINC code: MMs01881815

Type: Neutral
Formula: C₂₃H₁₈ClNO₄

SMILES:

Clc1cc(C(=O)c2ccccc2)c(NC(CC(=O)c2ccccc2)C(O)=O)cc1

InChI:

InChI=1/C23H18ClNO4/c24-17-11-12-19(18(13-17)22(27)16-9-5-2-6-10-16)25-20(23(28)29)14-21(26)15-7-3-1-4-8-15/h1-13,20,25H,14H2,(H,28,29)/t20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.409 kcal/mol

Physical Properties
Molecular Weight: 407.853 g/mol	logS: -5.96545	SlogP: 4.7091	Reactive groups: 0

Topological Properties
Globularity: 0.247018	Sterimol/B1: 3.70657	Sterimol/B2: 5.76985	Sterimol/B3: 6.44946
Sterimol/B4: 6.69319	Sterimol/L: 15.7559

Surface and Volume Properties
Accessible surface: 654.343	Positive charged surface: 314.894	Negative charged surface: 339.448	Volume: 374.75
Hydrophobic surface: 530.197	Hydrophilic surface: 124.146

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs01881816
IBS-ZINC04145951