MMsINC Database Search


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MMsINC code: MMs03153982

Type: Neutral
Formula: C₁₉H₁₉Cl₂N₃

SMILES:

Clc1cc(ccc1Cl)-c1n(C)c(nc1)NCc1ccc(cc1)CC

InChI:

InChI=1/C19H19Cl2N3/c1-3-13-4-6-14(7-5-13)11-22-19-23-12-18(24(19)2)15-8-9-16(20)17(21)10-15/h4-10,12H,3,11H2,1-2H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.2981 kcal/mol

Physical Properties
Molecular Weight: 360.288 g/mol	logS: -6.90211	SlogP: 6.19397	Reactive groups: 0

Topological Properties
Globularity: 0.0301833	Sterimol/B1: 3.63622	Sterimol/B2: 3.72705	Sterimol/B3: 4.17194
Sterimol/B4: 4.26335	Sterimol/L: 21.0255

Surface and Volume Properties
Accessible surface: 629.526	Positive charged surface: 354.044	Negative charged surface: 275.482	Volume: 338
Hydrophobic surface: 562.813	Hydrophilic surface: 66.713

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