MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01966511

Type: Neutral
Formula: C₂₀H₁₉ClFN₃O₃

SMILES:

Clc1cc2N(CCC(=O)N3CCN(CC3)c3ccccc3F)C(Oc2cc1)=O

InChI:

InChI=1/C20H19ClFN3O3/c21-14-5-6-18-17(13-14)25(20(27)28-18)8-7-19(26)24-11-9-23(10-12-24)16-4-2-1-3-15(16)22/h1-6,13H,7-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.968 kcal/mol

Physical Properties
Molecular Weight: 403.841 g/mol	logS: -4.90473	SlogP: 3.5368	Reactive groups: 0

Topological Properties
Globularity: 0.0756734	Sterimol/B1: 3.04721	Sterimol/B2: 3.6089	Sterimol/B3: 4.20107
Sterimol/B4: 6.63138	Sterimol/L: 18.9014

Surface and Volume Properties
Accessible surface: 645.705	Positive charged surface: 359.812	Negative charged surface: 285.893	Volume: 354.875
Hydrophobic surface: 538.258	Hydrophilic surface: 107.447

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.