MMsINC Database Search


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MMsINC code: MMs00733506

Type: Neutral
Formula: C₂₀H₂₄Cl₂O₂

SMILES:

Clc1cc(ccc1OCCCCCCOc1ccc(cc1Cl)C)C

InChI:

InChI=1/C20H24Cl2O2/c1-15-7-9-19(17(21)13-15)23-11-5-3-4-6-12-24-20-10-8-16(2)14-18(20)22/h7-10,13-14H,3-6,11-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.5882 kcal/mol

Physical Properties
Molecular Weight: 367.316 g/mol	logS: -6.50348	SlogP: 6.62844	Reactive groups: 0

Topological Properties
Globularity: 0.00694714	Sterimol/B1: 2.37795	Sterimol/B2: 2.51206	Sterimol/B3: 4.67627
Sterimol/B4: 6.00081	Sterimol/L: 23.2535

Surface and Volume Properties
Accessible surface: 693.247	Positive charged surface: 394.987	Negative charged surface: 298.26	Volume: 359.625
Hydrophobic surface: 690.426	Hydrophilic surface: 2.8209999999999

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.