MMsINC Database Search


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MMsINC code: MMs03410535

Type: Neutral
Formula: C₁₉H₂₅ClN₂

SMILES:

Clc1ccc(cc1N(C)C)Cc1ccc(N(CC)CC)cc1

InChI:

InChI=1/C19H25ClN2/c1-5-22(6-2)17-10-7-15(8-11-17)13-16-9-12-18(20)19(14-16)21(3)4/h7-12,14H,5-6,13H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.201 kcal/mol

Physical Properties
Molecular Weight: 316.876 g/mol	logS: -4.74479	SlogP: 4.84297	Reactive groups: 0

Topological Properties
Globularity: 0.0932845	Sterimol/B1: 3.60453	Sterimol/B2: 3.81058	Sterimol/B3: 4.92909
Sterimol/B4: 6.40886	Sterimol/L: 15.4668

Surface and Volume Properties
Accessible surface: 599.821	Positive charged surface: 409.94	Negative charged surface: 189.881	Volume: 334.125
Hydrophobic surface: 539.688	Hydrophilic surface: 60.133

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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.