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MMsINC code: MMs02324518

Type: Neutral
Formula: C₁₅H₁₉Cl₂N₃O₂

SMILES:

ClCCN(CCN1C(=O)C(NC1=O)c1ccccc1)CCCl

InChI:

InChI=1/C15H19Cl2N3O2/c16-6-8-19(9-7-17)10-11-20-14(21)13(18-15(20)22)12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,18,22)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.7106 kcal/mol

Physical Properties
Molecular Weight: 344.242 g/mol	logS: -3.23084	SlogP: 2.1546	Reactive groups: 1

Topological Properties
Globularity: 0.0720212	Sterimol/B1: 2.32153	Sterimol/B2: 5.08761	Sterimol/B3: 5.16371
Sterimol/B4: 5.93511	Sterimol/L: 15.7584

Surface and Volume Properties
Accessible surface: 591.365	Positive charged surface: 304.21	Negative charged surface: 287.155	Volume: 308
Hydrophobic surface: 350.888	Hydrophilic surface: 240.477

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.