MMsINC Database Search


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MMsINC code: MMs00735691

Type: Neutral
Formula: C₂₀H₂₄Cl₂O₂

SMILES:

Clc1cc(C)c(OCCCCOc2c(cc(Cl)cc2C)C)c(c1)C

InChI:

InChI=1/C20H24Cl2O2/c1-13-9-17(21)10-14(2)19(13)23-7-5-6-8-24-20-15(3)11-18(22)12-16(20)4/h9-12H,5-8H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.0615 kcal/mol

Physical Properties
Molecular Weight: 367.316 g/mol	logS: -5.79398	SlogP: 6.46508	Reactive groups: 0

Topological Properties
Globularity: 0.0233144	Sterimol/B1: 2.24398	Sterimol/B2: 2.62521	Sterimol/B3: 3.48589
Sterimol/B4: 7.25816	Sterimol/L: 21.0828

Surface and Volume Properties
Accessible surface: 660.889	Positive charged surface: 347.484	Negative charged surface: 313.405	Volume: 357.625
Hydrophobic surface: 651.731	Hydrophilic surface: 9.158

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.