MMsINC Database Search


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MMsINC code: MMs00005685

Type: Neutral
Formula: C₇H₇ClO

SMILES:

Clc1ccc(cc1)CO

InChI:

InChI=1/C7H7ClO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.0103 kcal/mol

Physical Properties
Molecular Weight: 142.585 g/mol	logS: -1.89019	SlogP: 2.0987	Reactive groups: 0

Topological Properties
Globularity: 0.0527125	Sterimol/B1: 2.22611	Sterimol/B2: 2.42089	Sterimol/B3: 2.88197
Sterimol/B4: 4.81672	Sterimol/L: 10.8974

Surface and Volume Properties
Accessible surface: 315.916	Positive charged surface: 157.966	Negative charged surface: 157.95	Volume: 131.625
Hydrophobic surface: 251.951	Hydrophilic surface: 63.965

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.