MMsINC Database Search


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MMsINC code: MMs01462026

Type: Neutral
Formula: C₁₅H₁₃ClFNO₂

SMILES:

Clc1cc(F)ccc1C(=O)Nc1ccccc1OCC

InChI:

InChI=1/C15H13ClFNO2/c1-2-20-14-6-4-3-5-13(14)18-15(19)11-8-7-10(17)9-12(11)16/h3-9H,2H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.4763 kcal/mol

Physical Properties
Molecular Weight: 293.725 g/mol	logS: -4.76173	SlogP: 4.1301	Reactive groups: 0

Topological Properties
Globularity: 0.0233172	Sterimol/B1: 1.96992	Sterimol/B2: 2.82391	Sterimol/B3: 2.9187
Sterimol/B4: 8.82513	Sterimol/L: 13.5731

Surface and Volume Properties
Accessible surface: 510.258	Positive charged surface: 268.564	Negative charged surface: 241.694	Volume: 262.875
Hydrophobic surface: 460.963	Hydrophilic surface: 49.295

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.