MMsINC Database Search


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MMsINC code: MMs01560912

Type: Neutral
Formula: C₁₈H₂₀ClFN₂O₄

SMILES:

Clc1cccc(F)c1-c1noc(C)c1C(OCC(=O)NC(CC)CC)=O

InChI:

InChI=1/C18H20ClFN2O4/c1-4-11(5-2)21-14(23)9-25-18(24)15-10(3)26-22-17(15)16-12(19)7-6-8-13(16)20/h6-8,11H,4-5,9H2,1-3H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.4129 kcal/mol

Physical Properties
Molecular Weight: 382.819 g/mol	logS: -5.38133	SlogP: 3.90412	Reactive groups: 0

Topological Properties
Globularity: 0.094593	Sterimol/B1: 3.87168	Sterimol/B2: 4.89656	Sterimol/B3: 4.93366
Sterimol/B4: 7.50244	Sterimol/L: 14.8063

Surface and Volume Properties
Accessible surface: 644.489	Positive charged surface: 351.165	Negative charged surface: 293.324	Volume: 341.625
Hydrophobic surface: 530.663	Hydrophilic surface: 113.826

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.