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MMsINC code: MMs01165062

Type: Neutral
Formula: C₁₉H₂₄ClN₃O₂

SMILES:

Clc1cc(ccc1)-c1nc(on1)C1CCN(CC1)C(=O)CCCCC

InChI:

InChI=1/C19H24ClN3O2/c1-2-3-4-8-17(24)23-11-9-14(10-12-23)19-21-18(22-25-19)15-6-5-7-16(20)13-15/h5-7,13-14H,2-4,8-12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.6257 kcal/mol

Physical Properties
Molecular Weight: 361.873 g/mol	logS: -6.20136	SlogP: 4.6763	Reactive groups: 0

Topological Properties
Globularity: 0.0344545	Sterimol/B1: 2.49155	Sterimol/B2: 3.6672	Sterimol/B3: 3.78005
Sterimol/B4: 6.26305	Sterimol/L: 22.0819

Surface and Volume Properties
Accessible surface: 664.943	Positive charged surface: 415.953	Negative charged surface: 248.99	Volume: 348.875
Hydrophobic surface: 564.375	Hydrophilic surface: 100.568

Pharmacophoric Properties
Hydrogen bond donors: 0	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.