MMsINC Database Search


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MMsINC code: MMs01474676

Type: Neutral
Formula: C₁₇H₁₅ClFNO₄

SMILES:

Clc1cc(C(OCC(=O)NCc2ccc(F)cc2)=O)c(OC)cc1

InChI:

InChI=1/C17H15ClFNO4/c1-23-15-7-4-12(18)8-14(15)17(22)24-10-16(21)20-9-11-2-5-13(19)6-3-11/h2-8H,9-10H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.8243 kcal/mol

Physical Properties
Molecular Weight: 351.761 g/mol	logS: -4.78673	SlogP: 3.2273	Reactive groups: 0

Topological Properties
Globularity: 0.0293962	Sterimol/B1: 2.55496	Sterimol/B2: 3.619	Sterimol/B3: 3.61947
Sterimol/B4: 8.62442	Sterimol/L: 18.5546

Surface and Volume Properties
Accessible surface: 612.432	Positive charged surface: 344.37	Negative charged surface: 268.062	Volume: 310.125
Hydrophobic surface: 520.914	Hydrophilic surface: 91.518

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.