MMsINC Database Search


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MMsINC code: MMs01063433

Type: Neutral
Formula: C₁₉H₁₈FNO₄

SMILES:

Fc1cc(NC(=O)C2CC(OC2c2ccc(OC)cc2)=O)ccc1C

InChI:

InChI=1/C19H18FNO4/c1-11-3-6-13(9-16(11)20)21-19(23)15-10-17(22)25-18(15)12-4-7-14(24-2)8-5-12/h3-9,15,18H,10H2,1-2H3,(H,21,23)/t15-,18+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.4937 kcal/mol

Physical Properties
Molecular Weight: 343.354 g/mol	logS: -4.05611	SlogP: 3.48112	Reactive groups: 0

Topological Properties
Globularity: 0.047919	Sterimol/B1: 2.96582	Sterimol/B2: 3.4528	Sterimol/B3: 3.47571
Sterimol/B4: 7.54702	Sterimol/L: 18.3983

Surface and Volume Properties
Accessible surface: 591.283	Positive charged surface: 350.866	Negative charged surface: 240.417	Volume: 314.125
Hydrophobic surface: 482.726	Hydrophilic surface: 108.557

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.