MMsINC Database Search


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MMsINC code: MMs00618790

Type: Neutral
Formula: C₁₇H₁₈FNO₃

SMILES:

Fc1ccccc1C(=O)NC(C)c1cc(OC)ccc1OC

InChI:

InChI=1/C17H18FNO3/c1-11(14-10-12(21-2)8-9-16(14)22-3)19-17(20)13-6-4-5-7-15(13)18/h4-11H,1-3H3,(H,19,20)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.6161 kcal/mol

Physical Properties
Molecular Weight: 303.333 g/mol	logS: -4.02186	SlogP: 3.4294	Reactive groups: 0

Topological Properties
Globularity: 0.0596408	Sterimol/B1: 2.19866	Sterimol/B2: 3.58441	Sterimol/B3: 5.17376
Sterimol/B4: 8.23687	Sterimol/L: 14.3746

Surface and Volume Properties
Accessible surface: 554.123	Positive charged surface: 363.814	Negative charged surface: 190.309	Volume: 289
Hydrophobic surface: 490.397	Hydrophilic surface: 63.726

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.