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MMsINC code: MMs01636595

Type: Neutral
Formula: C₁₅H₁₆Cl₂N₄O₂

SMILES:

Clc1cc(Cl)ccc1CC(=O)NNC(=O)Cn1nc(cc1C)C

InChI:

InChI=1/C15H16Cl2N4O2/c1-9-5-10(2)21(20-9)8-15(23)19-18-14(22)6-11-3-4-12(16)7-13(11)17/h3-5,7H,6,8H2,1-2H3,(H,18,22)(H,19,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.0588 kcal/mol

Physical Properties
Molecular Weight: 355.225 g/mol	logS: -4.09672	SlogP: 2.46321	Reactive groups: 0

Topological Properties
Globularity: 0.0381421	Sterimol/B1: 2.95454	Sterimol/B2: 3.05192	Sterimol/B3: 3.91969
Sterimol/B4: 6.42339	Sterimol/L: 19.684

Surface and Volume Properties
Accessible surface: 609.797	Positive charged surface: 309.345	Negative charged surface: 300.452	Volume: 313.75
Hydrophobic surface: 497.118	Hydrophilic surface: 112.679

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

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Ions/Tautomers related molecules: no related molecules available.