MMsINC Database Search


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

MMsINC code: MMs02093674

Type: Neutral
Formula: C₁₇H₁₆ClFN₂O₃

SMILES:

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

InChI:

InChI=1/C17H16ClFN2O3/c18-13-3-1-12(2-4-13)17(24)21(9-10-22)11-16(23)20-15-7-5-14(19)6-8-15/h1-8,22H,9-11H2,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.36 kcal/mol

Physical Properties
Molecular Weight: 350.777 g/mol	logS: -4.24818	SlogP: 2.5523	Reactive groups: 0

Topological Properties
Globularity: 0.0967385	Sterimol/B1: 3.1638	Sterimol/B2: 4.11855	Sterimol/B3: 5.79699
Sterimol/B4: 7.52893	Sterimol/L: 14.223

Surface and Volume Properties
Accessible surface: 567.833	Positive charged surface: 300.427	Negative charged surface: 267.406	Volume: 306.125
Hydrophobic surface: 463.779	Hydrophilic surface: 104.054

Pharmacophoric Properties
Hydrogen bond donors: 2	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.