MMsINC Database Search


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MMsINC code: MMs02339500

Type: Neutral
Formula: C₁₄H₁₃ClO

SMILES:

Clc1ccccc1Cc1cccc(C)c1O

InChI:

InChI=1/C14H13ClO/c1-10-5-4-7-12(14(10)16)9-11-6-2-3-8-13(11)15/h2-8,16H,9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.0055 kcal/mol

Physical Properties
Molecular Weight: 232.71 g/mol	logS: -3.72062	SlogP: 3.94479	Reactive groups: 0

Topological Properties
Globularity: 0.155541	Sterimol/B1: 2.54022	Sterimol/B2: 2.54719	Sterimol/B3: 4.44596
Sterimol/B4: 6.3849	Sterimol/L: 11.6866

Surface and Volume Properties
Accessible surface: 429.073	Positive charged surface: 236.684	Negative charged surface: 192.389	Volume: 226.75
Hydrophobic surface: 402.999	Hydrophilic surface: 26.074

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.