MMsINC Database Search


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MMsINC code: MMs02903277

Type: Neutral
Formula: C₂₀H₂₃ClO

SMILES:

Clc1ccc(cc1)Cc1cc(ccc1OC)C1CCCCC1

InChI:

InChI=1/C20H23ClO/c1-22-20-12-9-17(16-5-3-2-4-6-16)14-18(20)13-15-7-10-19(21)11-8-15/h7-12,14,16H,2-6,13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.2096 kcal/mol

Physical Properties
Molecular Weight: 314.856 g/mol	logS: -6.92046	SlogP: 5.98707	Reactive groups: 0

Topological Properties
Globularity: 0.102329	Sterimol/B1: 2.22122	Sterimol/B2: 3.48778	Sterimol/B3: 4.54294
Sterimol/B4: 8.90091	Sterimol/L: 15.693

Surface and Volume Properties
Accessible surface: 579.266	Positive charged surface: 380.626	Negative charged surface: 198.64	Volume: 323
Hydrophobic surface: 578.651	Hydrophilic surface: 0.61500000000001

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: no related molecules available.