MMsINC Database Search


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MMsINC code: MMs03939648

Type: Neutral
Formula: C₂₄H₁₉ClN₄O

SMILES:

Clc1ccc(cc1)C(=O)N\N=C/c1cn(nc1-c1ccc(cc1)C)-c1ccccc1

InChI:

InChI=1/C24H19ClN4O/c1-17-7-9-18(10-8-17)23-20(16-29(28-23)22-5-3-2-4-6-22)15-26-27-24(30)19-11-13-21(25)14-12-19/h2-16H,1H3,(H,27,30)/b26-15-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=150.417 kcal/mol

Physical Properties
Molecular Weight: 414.896 g/mol	logS: -7.29545	SlogP: 5.26502	Reactive groups: 0

Topological Properties
Globularity: 0.0453839	Sterimol/B1: 3.23852	Sterimol/B2: 3.78813	Sterimol/B3: 4.79222
Sterimol/B4: 8.40279	Sterimol/L: 19.1874

Surface and Volume Properties
Accessible surface: 681.477	Positive charged surface: 321.168	Negative charged surface: 360.309	Volume: 391.5
Hydrophobic surface: 578.977	Hydrophilic surface: 102.5

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.