MMsINC Database Search


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MMsINC code: MMs00043355

Type: Neutral
Formula: C₁₅H₁₂Cl₂O₂

SMILES:

Clc1cc(ccc1Cl)COc1ccc(cc1)C(=O)C

InChI:

InChI=1/C15H12Cl2O2/c1-10(18)12-3-5-13(6-4-12)19-9-11-2-7-14(16)15(17)8-11/h2-8H,9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.3921 kcal/mol

Physical Properties
Molecular Weight: 295.165 g/mol	logS: -4.98401	SlogP: 5.0414	Reactive groups: 0

Topological Properties
Globularity: 0.0604151	Sterimol/B1: 2.24266	Sterimol/B2: 3.73318	Sterimol/B3: 4.62731
Sterimol/B4: 5.09801	Sterimol/L: 17.4035

Surface and Volume Properties
Accessible surface: 517.89	Positive charged surface: 220.894	Negative charged surface: 296.996	Volume: 262.375
Hydrophobic surface: 467.494	Hydrophilic surface: 50.396

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.