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MMsINC code: MMs02852779

Type: Neutral
Formula: C₁₇H₁₇ClN₂

SMILES:

Clc1cc2C3N(CCc4c3cccc4)CCNc2cc1

InChI:

InChI=1/C17H17ClN2/c18-13-5-6-16-15(11-13)17-14-4-2-1-3-12(14)7-9-20(17)10-8-19-16/h1-6,11,17,19H,7-10H2/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.61 kcal/mol

Physical Properties
Molecular Weight: 284.79 g/mol	logS: -3.88769	SlogP: 3.80847	Reactive groups: 0

Topological Properties
Globularity: 0.117798	Sterimol/B1: 2.6034	Sterimol/B2: 4.0496	Sterimol/B3: 4.64159
Sterimol/B4: 6.4616	Sterimol/L: 12.1355

Surface and Volume Properties
Accessible surface: 480.794	Positive charged surface: 294.964	Negative charged surface: 185.83	Volume: 270.125
Hydrophobic surface: 446.499	Hydrophilic surface: 34.295

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

MMs02852780
PUBCHEM-ZINC02016896