MMsINC Database Search


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MMsINC code: MMs00855575

Type: Neutral
Formula: C₁₉H₂₀ClNO₂

SMILES:

Clc1ccc(OC(C(=O)N2CCc3c(C2)cccc3)(C)C)cc1

InChI:

InChI=1/C19H20ClNO2/c1-19(2,23-17-9-7-16(20)8-10-17)18(22)21-12-11-14-5-3-4-6-15(14)13-21/h3-10H,11-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=151.498 kcal/mol

Physical Properties
Molecular Weight: 329.827 g/mol	logS: -4.84232	SlogP: 4.34867	Reactive groups: 0

Topological Properties
Globularity: 0.157171	Sterimol/B1: 2.17097	Sterimol/B2: 3.87352	Sterimol/B3: 4.27563
Sterimol/B4: 8.49691	Sterimol/L: 14.8325

Surface and Volume Properties
Accessible surface: 543.394	Positive charged surface: 290.612	Negative charged surface: 252.782	Volume: 312.375
Hydrophobic surface: 484.559	Hydrophilic surface: 58.835

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.