MMsINC Database Search


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MMsINC code: MMs00160285

Type: Neutral
Formula: C₁₉H₂₅ClN₂O₂

SMILES:

Clc1ccc(cc1)C(=O)N1CCC(CC1)C(=O)NC1CCCCC1

InChI:

InChI=1/C19H25ClN2O2/c20-16-8-6-15(7-9-16)19(24)22-12-10-14(11-13-22)18(23)21-17-4-2-1-3-5-17/h6-9,14,17H,1-5,10-13H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.8218 kcal/mol

Physical Properties
Molecular Weight: 348.874 g/mol	logS: -4.11188	SlogP: 3.6411	Reactive groups: 0

Topological Properties
Globularity: 0.0831004	Sterimol/B1: 2.64496	Sterimol/B2: 4.85965	Sterimol/B3: 5.51748
Sterimol/B4: 5.52343	Sterimol/L: 17.0428

Surface and Volume Properties
Accessible surface: 609.923	Positive charged surface: 393.167	Negative charged surface: 216.755	Volume: 337.375
Hydrophobic surface: 545.142	Hydrophilic surface: 64.781

Pharmacophoric Properties
Hydrogen bond donors: 1	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

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Ions/Tautomers related molecules: no related molecules available.