MMsINC Database Search


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MMsINC code: MMs00053350

Type: Neutral
Formula: C₁₈H₁₄Cl₂N₄O

SMILES:

Clc1nc(Cl)cc(c1)C(=O)N(Cc1cccnc1)Cc1cccnc1

InChI:

InChI=1/C18H14Cl2N4O/c19-16-7-15(8-17(20)23-16)18(25)24(11-13-3-1-5-21-9-13)12-14-4-2-6-22-10-14/h1-10H,11-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.922 kcal/mol

Physical Properties
Molecular Weight: 373.243 g/mol	logS: -3.2775	SlogP: 4.5538	Reactive groups: 0

Topological Properties
Globularity: 0.124044	Sterimol/B1: 3.47686	Sterimol/B2: 3.5962	Sterimol/B3: 6.16642
Sterimol/B4: 8.26724	Sterimol/L: 13.5448

Surface and Volume Properties
Accessible surface: 574.062	Positive charged surface: 285.405	Negative charged surface: 288.658	Volume: 326.125
Hydrophobic surface: 472.159	Hydrophilic surface: 101.903

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.