MMsINC Database Search


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MMsINC code: MMs01488757

Type: Neutral
Formula: C₁₀H₁₀ClN₃O₄

SMILES:

Clc1ncccc1C(OC(C(=O)NC(=O)N)C)=O

InChI:

InChI=1/C10H10ClN3O4/c1-5(8(15)14-10(12)17)18-9(16)6-3-2-4-13-7(6)11/h2-5H,1H3,(H3,12,14,15,17)/t5-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.0627 kcal/mol

Physical Properties
Molecular Weight: 271.66 g/mol	logS: -2.38832	SlogP: 0.4752	Reactive groups: 0

Topological Properties
Globularity: 0.0497986	Sterimol/B1: 2.36816	Sterimol/B2: 3.03968	Sterimol/B3: 4.8686
Sterimol/B4: 5.49041	Sterimol/L: 15.3053

Surface and Volume Properties
Accessible surface: 469.441	Positive charged surface: 263.052	Negative charged surface: 206.389	Volume: 222.875
Hydrophobic surface: 246.849	Hydrophilic surface: 222.592

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.