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MMsINC code: MMs02362758

Type: Neutral
Formula: C₁₁H₁₃Cl₂N₅O₃

SMILES:

Clc1cc(NC(=O)NCC(=O)NNC(=O)NC)ccc1Cl

InChI:

InChI=1/C11H13Cl2N5O3/c1-14-10(20)18-17-9(19)5-15-11(21)16-6-2-3-7(12)8(13)4-6/h2-4H,5H2,1H3,(H,17,19)(H2,14,18,20)(H2,15,16,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.8091 kcal/mol

Physical Properties
Molecular Weight: 334.163 g/mol	logS: -3.19505	SlogP: 1.0751	Reactive groups: 0

Topological Properties
Globularity: 0.0115977	Sterimol/B1: 2.93364	Sterimol/B2: 2.95371	Sterimol/B3: 2.9578
Sterimol/B4: 4.98135	Sterimol/L: 19.237

Surface and Volume Properties
Accessible surface: 563.879	Positive charged surface: 311.72	Negative charged surface: 252.159	Volume: 270.75
Hydrophobic surface: 358.938	Hydrophilic surface: 204.941

Pharmacophoric Properties
Hydrogen bond donors: 5	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.