MMsINC Database Search


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MMsINC code: MMs00079780

Type: Neutral
Formula: C₁₅H₁₄ClNO₂

SMILES:

Clc1ccc(NC(=O)c2ccccc2OCC)cc1

InChI:

InChI=1/C15H14ClNO2/c1-2-19-14-6-4-3-5-13(14)15(18)17-12-9-7-11(16)8-10-12/h3-10H,2H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.1784 kcal/mol

Physical Properties
Molecular Weight: 275.735 g/mol	logS: -4.46675	SlogP: 3.991	Reactive groups: 0

Topological Properties
Globularity: 0.0248548	Sterimol/B1: 1.99305	Sterimol/B2: 2.43069	Sterimol/B3: 2.99689
Sterimol/B4: 8.86529	Sterimol/L: 14.533

Surface and Volume Properties
Accessible surface: 513.137	Positive charged surface: 276.795	Negative charged surface: 236.342	Volume: 258.125
Hydrophobic surface: 458.944	Hydrophilic surface: 54.193

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.