MMsINC Database Search


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MMsINC code: MMs01488863

Type: Neutral
Formula: C₁₀H₁₀ClN₃O₄

SMILES:

Clc1ncc(cc1)C(OC(C(=O)NC(=O)N)C)=O

InChI:

InChI=1/C10H10ClN3O4/c1-5(8(15)14-10(12)17)18-9(16)6-2-3-7(11)13-4-6/h2-5H,1H3,(H3,12,14,15,17)/t5-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.8659 kcal/mol

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

Topological Properties
Globularity: 0.0448466	Sterimol/B1: 2.25447	Sterimol/B2: 2.42342	Sterimol/B3: 4.01205
Sterimol/B4: 5.54532	Sterimol/L: 16.3497

Surface and Volume Properties
Accessible surface: 479.597	Positive charged surface: 253.7	Negative charged surface: 225.897	Volume: 223.875
Hydrophobic surface: 246.396	Hydrophilic surface: 233.201

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.