MMsINC Database Search


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MMsINC code: MMs02916921

Type: Neutral
Formula: C₁₈H₂₀ClNO₂

SMILES:

Clc1ccccc1OCc1cc(ccc1)C(=O)NC(C)(C)C

InChI:

InChI=1/C18H20ClNO2/c1-18(2,3)20-17(21)14-8-6-7-13(11-14)12-22-16-10-5-4-9-15(16)19/h4-11H,12H2,1-3H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.3731 kcal/mol

Physical Properties
Molecular Weight: 317.816 g/mol	logS: -5.06521	SlogP: 4.7137	Reactive groups: 0

Topological Properties
Globularity: 0.0627887	Sterimol/B1: 2.1638	Sterimol/B2: 4.08629	Sterimol/B3: 4.47124
Sterimol/B4: 7.28838	Sterimol/L: 17.8426

Surface and Volume Properties
Accessible surface: 589.239	Positive charged surface: 318.315	Negative charged surface: 270.923	Volume: 312.375
Hydrophobic surface: 508.338	Hydrophilic surface: 80.901

Pharmacophoric Properties
Hydrogen bond donors: 1	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.