MMsINC Database Search


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MMsINC code: MMs00611071

Type: Neutral
Formula: C₁₇H₁₅ClFNO₃

SMILES:

Clc1cccc(F)c1\C=C\C(=O)Nc1cc(OC)ccc1OC

InChI:

InChI=1/C17H15ClFNO3/c1-22-11-6-8-16(23-2)15(10-11)20-17(21)9-7-12-13(18)4-3-5-14(12)19/h3-10H,1-2H3,(H,20,21)/b9-7+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.1258 kcal/mol

Physical Properties
Molecular Weight: 335.762 g/mol	logS: -4.99072	SlogP: 4.1482	Reactive groups: 0

Topological Properties
Globularity: 0.0140022	Sterimol/B1: 2.56194	Sterimol/B2: 2.73341	Sterimol/B3: 3.18049
Sterimol/B4: 9.00396	Sterimol/L: 16.7922

Surface and Volume Properties
Accessible surface: 575.359	Positive charged surface: 350.234	Negative charged surface: 225.125	Volume: 298.625
Hydrophobic surface: 518.687	Hydrophilic surface: 56.672

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.