MMsINC Database Search


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MMsINC code: MMs01740266

Type: Neutral
Formula: C₉H₁₀Cl₂N₄O₂

SMILES:

Clc1nc2N(C)C(=O)N(CCCl)C(=O)c2n1C

InChI:

InChI=1/C9H10Cl2N4O2/c1-13-5-6(12-8(13)11)14(2)9(17)15(4-3-10)7(5)16/h3-4H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-14.6583 kcal/mol

Physical Properties
Molecular Weight: 277.111 g/mol	logS: -2.78964	SlogP: 1.6835	Reactive groups: 1

Topological Properties
Globularity: 0.06793	Sterimol/B1: 2.09563	Sterimol/B2: 2.63094	Sterimol/B3: 2.84086
Sterimol/B4: 7.28129	Sterimol/L: 13.6976

Surface and Volume Properties
Accessible surface: 445.473	Positive charged surface: 250.924	Negative charged surface: 194.55	Volume: 221
Hydrophobic surface: 279.392	Hydrophilic surface: 166.081

Pharmacophoric Properties
Hydrogen bond donors: 0	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.