MMsINC Database Search


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MMsINC code: MMs01742622

Type: Neutral
Formula: C₁₄H₁₂ClNO₃

SMILES:

Clc1cc(NC(=O)c2ccccc2OC)c(O)cc1

InChI:

InChI=1/C14H12ClNO3/c1-19-13-5-3-2-4-10(13)14(18)16-11-8-9(15)6-7-12(11)17/h2-8,17H,1H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.3663 kcal/mol

Physical Properties
Molecular Weight: 277.707 g/mol	logS: -3.77759	SlogP: 3.3065	Reactive groups: 0

Topological Properties
Globularity: 0.0303103	Sterimol/B1: 2.42075	Sterimol/B2: 2.73005	Sterimol/B3: 3.51435
Sterimol/B4: 7.37216	Sterimol/L: 13.8555

Surface and Volume Properties
Accessible surface: 492.23	Positive charged surface: 277.182	Negative charged surface: 215.048	Volume: 248.125
Hydrophobic surface: 415.136	Hydrophilic surface: 77.094

Pharmacophoric Properties
Hydrogen bond donors: 2	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.