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MMsINC code: MMs02842529

Type: Neutral
Formula: C₁₈H₂₂ClN

SMILES:

ClC(CN(Cc1ccccc1)Cc1ccccc1)(C)C

InChI:

InChI=1/C18H22ClN/c1-18(2,19)15-20(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.477 kcal/mol

Physical Properties
Molecular Weight: 287.834 g/mol	logS: -4.44393	SlogP: 5.6589	Reactive groups: 0

Topological Properties
Globularity: 0.214437	Sterimol/B1: 2.52069	Sterimol/B2: 3.27212	Sterimol/B3: 5.01697
Sterimol/B4: 8.01812	Sterimol/L: 13.5687

Surface and Volume Properties
Accessible surface: 509.465	Positive charged surface: 298.088	Negative charged surface: 211.377	Volume: 299.5
Hydrophobic surface: 428.499	Hydrophilic surface: 80.966

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs02842530
PUBCHEM-ZINC02000197