MMsINC Database Search


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MMsINC code: MMs03154308

Type: Neutral
Formula: C₁₉H₁₉Cl₂N₃O

SMILES:

Clc1cc(ccc1Cl)CNc1ncc(n1CCOC)-c1ccccc1

InChI:

InChI=1/C19H19Cl2N3O/c1-25-10-9-24-18(15-5-3-2-4-6-15)13-23-19(24)22-12-14-7-8-16(20)17(21)11-14/h2-8,11,13H,9-10,12H2,1H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.2515 kcal/mol

Physical Properties
Molecular Weight: 376.287 g/mol	logS: -6.05561	SlogP: 5.6482	Reactive groups: 0

Topological Properties
Globularity: 0.0571677	Sterimol/B1: 2.38346	Sterimol/B2: 3.26746	Sterimol/B3: 5.08788
Sterimol/B4: 8.95188	Sterimol/L: 18.4971

Surface and Volume Properties
Accessible surface: 642.421	Positive charged surface: 369.171	Negative charged surface: 273.25	Volume: 348.625
Hydrophobic surface: 597.713	Hydrophilic surface: 44.708

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.