MMsINC Database Search


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MMsINC code: MMs01673391

Type: Neutral
Formula: C₁₄H₁₅Cl₂N₃O₃

SMILES:

Clc1cc(Cl)ccc1C(NC(=O)CN1C(=O)CN(C)C1=O)C

InChI:

InChI=1/C14H15Cl2N3O3/c1-8(10-4-3-9(15)5-11(10)16)17-12(20)6-19-13(21)7-18(2)14(19)22/h3-5,8H,6-7H2,1-2H3,(H,17,20)/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.7779 kcal/mol

Physical Properties
Molecular Weight: 344.198 g/mol	logS: -3.66476	SlogP: 2.1601	Reactive groups: 0

Topological Properties
Globularity: 0.0934217	Sterimol/B1: 1.97671	Sterimol/B2: 4.04756	Sterimol/B3: 4.5676
Sterimol/B4: 6.27171	Sterimol/L: 16.9399

Surface and Volume Properties
Accessible surface: 563.442	Positive charged surface: 297.958	Negative charged surface: 265.484	Volume: 290.25
Hydrophobic surface: 422.938	Hydrophilic surface: 140.504

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.