MMsINC Database Search


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MMsINC code: MMs01584277

Type: Neutral
Formula: C₁₈H₁₆ClFN₂O₄

SMILES:

Clc1ccc(cc1)C(OCC(=O)N(CC(=O)Nc1ccc(F)cc1)C)=O

InChI:

InChI=1/C18H16ClFN2O4/c1-22(10-16(23)21-15-8-6-14(20)7-9-15)17(24)11-26-18(25)12-2-4-13(19)5-3-12/h2-9H,10-11H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.1989 kcal/mol

Physical Properties
Molecular Weight: 378.787 g/mol	logS: -4.85889	SlogP: 2.733	Reactive groups: 0

Topological Properties
Globularity: 0.0492232	Sterimol/B1: 2.42953	Sterimol/B2: 2.51058	Sterimol/B3: 4.32081
Sterimol/B4: 8.04096	Sterimol/L: 19.9837

Surface and Volume Properties
Accessible surface: 637.325	Positive charged surface: 340.116	Negative charged surface: 297.209	Volume: 330.125
Hydrophobic surface: 527.684	Hydrophilic surface: 109.641

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.