MMsINC Database Search


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MMsINC code: MMs02629286

Type: Neutral
Formula: C₁₀H₉Cl₂N₃O₂

SMILES:

Clc1cccc(Cl)c1NC(=O)N1CCNC1=O

InChI:

InChI=1/C10H9Cl2N3O2/c11-6-2-1-3-7(12)8(6)14-10(17)15-5-4-13-9(15)16/h1-3H,4-5H2,(H,13,16)(H,14,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.8168 kcal/mol

Physical Properties
Molecular Weight: 274.107 g/mol	logS: -3.16815	SlogP: 2.5505	Reactive groups: 0

Topological Properties
Globularity: 0.0738843	Sterimol/B1: 3.33381	Sterimol/B2: 3.61921	Sterimol/B3: 4.12171
Sterimol/B4: 4.92525	Sterimol/L: 13.1445

Surface and Volume Properties
Accessible surface: 445.171	Positive charged surface: 226.115	Negative charged surface: 219.056	Volume: 219.5
Hydrophobic surface: 334.797	Hydrophilic surface: 110.374

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.