MMsINC Database Search


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MMsINC code: MMs02638344

Type: Neutral
Formula: C₁₉H₂₃ClN₂O₂

SMILES:

Clc1ccccc1-c1noc(C)c1C(=O)N(CC)C1CCCCC1

InChI:

InChI=1/C19H23ClN2O2/c1-3-22(14-9-5-4-6-10-14)19(23)17-13(2)24-21-18(17)15-11-7-8-12-16(15)20/h7-8,11-12,14H,3-6,9-10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.8669 kcal/mol

Physical Properties
Molecular Weight: 346.858 g/mol	logS: -5.31258	SlogP: 5.09822	Reactive groups: 0

Topological Properties
Globularity: 0.21212	Sterimol/B1: 2.36734	Sterimol/B2: 5.86263	Sterimol/B3: 5.96601
Sterimol/B4: 6.14452	Sterimol/L: 13.3745

Surface and Volume Properties
Accessible surface: 551.707	Positive charged surface: 327.671	Negative charged surface: 224.036	Volume: 335.875
Hydrophobic surface: 508.119	Hydrophilic surface: 43.588

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.