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MMsINC code: MMs00075293

Type: Neutral
Formula: C₁₇H₁₈ClFN₄O

SMILES:

Clc1ncccc1NC(=O)CN1CCN(CC1)c1ccc(F)cc1

InChI:

InChI=1/C17H18ClFN4O/c18-17-15(2-1-7-20-17)21-16(24)12-22-8-10-23(11-9-22)14-5-3-13(19)4-6-14/h1-7H,8-12H2,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=174.593 kcal/mol

Physical Properties
Molecular Weight: 348.809 g/mol	logS: -3.43784	SlogP: 2.6348	Reactive groups: 0

Topological Properties
Globularity: 0.0566555	Sterimol/B1: 2.33917	Sterimol/B2: 2.45785	Sterimol/B3: 4.7712
Sterimol/B4: 6.20396	Sterimol/L: 18.1273

Surface and Volume Properties
Accessible surface: 578.588	Positive charged surface: 353.447	Negative charged surface: 225.14	Volume: 313.375
Hydrophobic surface: 514.936	Hydrophilic surface: 63.652

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

MMs00075294
ASINEX-ZINC00102522