MMsINC Database Search


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MMsINC code: MMs00237001

Type: Neutral
Formula: C₂₄H₁₈ClNO₃

SMILES:

Clc1ccccc1CN(C(=O)C1=Cc2c(OC1=O)cccc2)Cc1ccccc1

InChI:

InChI=1/C24H18ClNO3/c25-21-12-6-4-11-19(21)16-26(15-17-8-2-1-3-9-17)23(27)20-14-18-10-5-7-13-22(18)29-24(20)28/h1-14H,15-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.049 kcal/mol

Physical Properties
Molecular Weight: 403.865 g/mol	logS: -7.11726	SlogP: 5.4042	Reactive groups: 0

Topological Properties
Globularity: 0.12441	Sterimol/B1: 3.09945	Sterimol/B2: 3.2715	Sterimol/B3: 5.10185
Sterimol/B4: 8.20017	Sterimol/L: 15.7914

Surface and Volume Properties
Accessible surface: 605.926	Positive charged surface: 317.339	Negative charged surface: 288.586	Volume: 371.75
Hydrophobic surface: 539.724	Hydrophilic surface: 66.202

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.