MMsINC Database Search


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MMsINC code: MMs00618877

Type: Neutral
Formula: C₁₁H₁₄ClNO₂

SMILES:

Clc1ccc(cc1)C(=O)NCC(O)(C)C

InChI:

InChI=1/C11H14ClNO2/c1-11(2,15)7-13-10(14)8-3-5-9(12)6-4-8/h3-6,15H,7H2,1-2H3,(H,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.5291 kcal/mol

Physical Properties
Molecular Weight: 227.691 g/mol	logS: -2.71718	SlogP: 1.8407	Reactive groups: 0

Topological Properties
Globularity: 0.0457415	Sterimol/B1: 3.18288	Sterimol/B2: 3.43456	Sterimol/B3: 3.59123
Sterimol/B4: 4.4864	Sterimol/L: 14.6093

Surface and Volume Properties
Accessible surface: 442.783	Positive charged surface: 231.103	Negative charged surface: 211.68	Volume: 213.875
Hydrophobic surface: 326.04	Hydrophilic surface: 116.743

Pharmacophoric Properties
Hydrogen bond donors: 2	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.