MMsINC Database Search


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MMsINC code: MMs01378714

Type: Neutral
Formula: C₁₆H₁₅ClFNO₃

SMILES:

Clc1cc(cc(OC)c1OC)C(=O)NCc1ccc(F)cc1

InChI:

InChI=1/C16H15ClFNO3/c1-21-14-8-11(7-13(17)15(14)22-2)16(20)19-9-10-3-5-12(18)6-4-10/h3-8H,9H2,1-2H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.7507 kcal/mol

Physical Properties
Molecular Weight: 323.751 g/mol	logS: -4.42894	SlogP: 3.6927	Reactive groups: 0

Topological Properties
Globularity: 0.0515024	Sterimol/B1: 2.01406	Sterimol/B2: 3.61154	Sterimol/B3: 3.71049
Sterimol/B4: 7.7033	Sterimol/L: 16.038

Surface and Volume Properties
Accessible surface: 565.104	Positive charged surface: 334.745	Negative charged surface: 230.359	Volume: 288
Hydrophobic surface: 505.303	Hydrophilic surface: 59.801

Pharmacophoric Properties
Hydrogen bond donors: 1	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.