MMsINC Database Search


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MMsINC code: MMs00142363

Type: Neutral
Formula: C₁₈H₁₆Cl₂N₄O₂

SMILES:

Clc1cc(NC(=O)NC=2C(=O)N(N(C)C=2C)c2ccccc2)ccc1Cl

InChI:

InChI=1/C18H16Cl2N4O2/c1-11-16(17(25)24(23(11)2)13-6-4-3-5-7-13)22-18(26)21-12-8-9-14(19)15(20)10-12/h3-10H,1-2H3,(H2,21,22,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.071 kcal/mol

Physical Properties
Molecular Weight: 391.258 g/mol	logS: -5.3532	SlogP: 4.24	Reactive groups: 0

Topological Properties
Globularity: 0.0648472	Sterimol/B1: 2.14497	Sterimol/B2: 4.19352	Sterimol/B3: 4.53706
Sterimol/B4: 9.13743	Sterimol/L: 17.6315

Surface and Volume Properties
Accessible surface: 628.878	Positive charged surface: 315.719	Negative charged surface: 313.159	Volume: 340.875
Hydrophobic surface: 542.355	Hydrophilic surface: 86.523

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

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Ions/Tautomers related molecules: no related molecules available.