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MMsINC code: MMs03269080

Type: Neutral
Formula: C₁₇H₁₉ClO

SMILES:

Clc1ccc(cc1)Cc1cc(ccc1O)C(C)(C)C

InChI:

InChI=1/C17H19ClO/c1-17(2,3)14-6-9-16(19)13(11-14)10-12-4-7-15(18)8-5-12/h4-9,11,19H,10H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.5795 kcal/mol

Physical Properties
Molecular Weight: 274.791 g/mol	logS: -5.57973	SlogP: 4.93387	Reactive groups: 0

Topological Properties
Globularity: 0.133504	Sterimol/B1: 2.94249	Sterimol/B2: 4.70011	Sterimol/B3: 4.74792
Sterimol/B4: 4.84788	Sterimol/L: 14.2848

Surface and Volume Properties
Accessible surface: 515.161	Positive charged surface: 286.689	Negative charged surface: 228.472	Volume: 277.375
Hydrophobic surface: 428.724	Hydrophilic surface: 86.437

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.