MMsINC Database Search


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MMsINC code: MMs01889262

Type: Neutral
Formula: C₁₉H₁₇ClFN₃O

SMILES:

Clc1cc2cc([nH]c2cc1)C(=O)N1CCN(CC1)c1ccccc1F

InChI:

InChI=1/C19H17ClFN3O/c20-14-5-6-16-13(11-14)12-17(22-16)19(25)24-9-7-23(8-10-24)18-4-2-1-3-15(18)21/h1-6,11-12,22H,7-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=149.668 kcal/mol

Physical Properties
Molecular Weight: 357.816 g/mol	logS: -4.7677	SlogP: 3.9228	Reactive groups: 0

Topological Properties
Globularity: 0.0875928	Sterimol/B1: 2.54118	Sterimol/B2: 3.01289	Sterimol/B3: 5.52677
Sterimol/B4: 6.13909	Sterimol/L: 18.0783

Surface and Volume Properties
Accessible surface: 588.45	Positive charged surface: 308.914	Negative charged surface: 274.355	Volume: 320.75
Hydrophobic surface: 529.063	Hydrophilic surface: 59.387

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.