MMsINC Database Search


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MMsINC code: MMs01443918

Type: Neutral
Formula: C₁₉H₁₇ClFNO₄

SMILES:

Clc1cc(NC(=O)COc2c(cc(cc2C(=O)C)C)C(=O)C)ccc1F

InChI:

InChI=1/C19H17ClFNO4/c1-10-6-14(11(2)23)19(15(7-10)12(3)24)26-9-18(25)22-13-4-5-17(21)16(20)8-13/h4-8H,9H2,1-3H3,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.661 kcal/mol

Physical Properties
Molecular Weight: 377.799 g/mol	logS: -5.55942	SlogP: 4.21022	Reactive groups: 0

Topological Properties
Globularity: 0.0460605	Sterimol/B1: 3.22751	Sterimol/B2: 3.9137	Sterimol/B3: 5.84669
Sterimol/B4: 6.30618	Sterimol/L: 17.7397

Surface and Volume Properties
Accessible surface: 623.911	Positive charged surface: 327.31	Negative charged surface: 296.601	Volume: 335.125
Hydrophobic surface: 533.207	Hydrophilic surface: 90.704

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.