MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00521107

Type: Neutral
Formula: C₂₄H₁₈ClN₃O₂

SMILES:

Clc1ccccc1NC(=O)c1ccccc1NC(=O)Nc1c2c(ccc1)cccc2

InChI:

InChI=1/C24H18ClN3O2/c25-19-12-4-6-14-22(19)26-23(29)18-11-3-5-13-21(18)28-24(30)27-20-15-7-9-16-8-1-2-10-17(16)20/h1-15H,(H,26,29)(H2,27,28,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.989 kcal/mol

Physical Properties
Molecular Weight: 415.88 g/mol	logS: -7.83421	SlogP: 6.3895	Reactive groups: 0

Topological Properties
Globularity: 0.0569252	Sterimol/B1: 2.77321	Sterimol/B2: 3.59139	Sterimol/B3: 5.28016
Sterimol/B4: 9.1544	Sterimol/L: 18.0847

Surface and Volume Properties
Accessible surface: 675.332	Positive charged surface: 334.318	Negative charged surface: 331.282	Volume: 381.5
Hydrophobic surface: 616.041	Hydrophilic surface: 59.291

Pharmacophoric Properties
Hydrogen bond donors: 3	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.