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MMsINC code: MMs00201673

Type: Neutral
Formula: C₂₃H₁₇ClN₂O₃

SMILES:

Clc1ccc(cc1)C(=O)C1C(N(Cc2cccnc2)C(=O)C1=O)c1ccccc1

InChI:

InChI=1/C23H17ClN2O3/c24-18-10-8-17(9-11-18)21(27)19-20(16-6-2-1-3-7-16)26(23(29)22(19)28)14-15-5-4-12-25-13-15/h1-13,19-20H,14H2/t19-,20+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.532 kcal/mol

Physical Properties
Molecular Weight: 404.853 g/mol	logS: -5.00499	SlogP: 4.2486	Reactive groups: 0

Topological Properties
Globularity: 0.178912	Sterimol/B1: 2.55152	Sterimol/B2: 3.52451	Sterimol/B3: 5.40342
Sterimol/B4: 9.99039	Sterimol/L: 16.2727

Surface and Volume Properties
Accessible surface: 641.867	Positive charged surface: 316.066	Negative charged surface: 325.801	Volume: 369.75
Hydrophobic surface: 531.798	Hydrophilic surface: 110.069

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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

MMs00201675
ASINEX-ZINC00870947