MMsINC Database Search


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MMsINC code: MMs00570852

Type: Neutral
Formula: C₁₅H₁₄ClNO₂

SMILES:

Clc1cc(ccc1)C(=O)NCCOc1ccccc1

InChI:

InChI=1/C15H14ClNO2/c16-13-6-4-5-12(11-13)15(18)17-9-10-19-14-7-2-1-3-8-14/h1-8,11H,9-10H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.6885 kcal/mol

Physical Properties
Molecular Weight: 275.735 g/mol	logS: -4.11002	SlogP: 3.1488	Reactive groups: 0

Topological Properties
Globularity: 0.0479701	Sterimol/B1: 3.17885	Sterimol/B2: 3.58707	Sterimol/B3: 4.30752
Sterimol/B4: 5.73038	Sterimol/L: 15.9671

Surface and Volume Properties
Accessible surface: 527.421	Positive charged surface: 270.199	Negative charged surface: 257.221	Volume: 259.875
Hydrophobic surface: 482.003	Hydrophilic surface: 45.418

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.