MMsINC Database Search


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MMsINC code: MMs00061880

Type: Neutral
Formula: C₁₆H₁₆ClNO₃

SMILES:

Clc1cc(OC)c(NC(=O)c2ccccc2C)cc1OC

InChI:

InChI=1/C16H16ClNO3/c1-10-6-4-5-7-11(10)16(19)18-13-9-14(20-2)12(17)8-15(13)21-3/h4-9H,1-3H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.534 kcal/mol

Physical Properties
Molecular Weight: 305.761 g/mol	logS: -4.66384	SlogP: 3.91792	Reactive groups: 0

Topological Properties
Globularity: 0.0365248	Sterimol/B1: 2.11422	Sterimol/B2: 3.77352	Sterimol/B3: 4.3274
Sterimol/B4: 7.7986	Sterimol/L: 15.1824

Surface and Volume Properties
Accessible surface: 528.562	Positive charged surface: 335.353	Negative charged surface: 193.208	Volume: 281.5
Hydrophobic surface: 498.714	Hydrophilic surface: 29.848

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.