MMsINC Database Search


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MMsINC code: MMs02348277

Type: Neutral
Formula: C₁₇H₂₇Cl₂NO

SMILES:

ClC(CN(Cc1cc(ccc1O)C(C)(C)C)CC(Cl)C)C

InChI:

InChI=1/C17H27Cl2NO/c1-12(18)9-20(10-13(2)19)11-14-8-15(17(3,4)5)6-7-16(14)21/h6-8,12-13,21H,9-11H2,1-5H3/t12-,13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.75 kcal/mol

Physical Properties
Molecular Weight: 332.315 g/mol	logS: -5.09894	SlogP: 5.8525	Reactive groups: 0

Topological Properties
Globularity: 0.184828	Sterimol/B1: 2.14891	Sterimol/B2: 3.46323	Sterimol/B3: 5.0053
Sterimol/B4: 7.71178	Sterimol/L: 14.5725

Surface and Volume Properties
Accessible surface: 561.839	Positive charged surface: 344.125	Negative charged surface: 217.714	Volume: 329.875
Hydrophobic surface: 353.655	Hydrophilic surface: 208.184

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs02348278
NCID-ZINC01724255