MMsINC Database Search


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MMsINC code: MMs03950726

Type: Neutral
Formula: C₁₃H₁₀Cl₂O

SMILES:

Clc1cc(cc(Cl)c1)-c1cc(ccc1)CO

InChI:

InChI=1/C13H10Cl2O/c14-12-5-11(6-13(15)7-12)10-3-1-2-9(4-10)8-16/h1-7,16H,8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.069 kcal/mol

Physical Properties
Molecular Weight: 253.128 g/mol	logS: -5.05086	SlogP: 4.4191	Reactive groups: 0

Topological Properties
Globularity: 0.0166906	Sterimol/B1: 2.24724	Sterimol/B2: 2.53453	Sterimol/B3: 2.87752
Sterimol/B4: 7.65142	Sterimol/L: 12.9057

Surface and Volume Properties
Accessible surface: 454.04	Positive charged surface: 176.187	Negative charged surface: 266.782	Volume: 225
Hydrophobic surface: 389.914	Hydrophilic surface: 64.126

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.