MMsINC Database Search


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MMsINC code: MMs00652534

Type: Neutral
Formula: C₂₀H₁₉ClN₂O₂

SMILES:

Clc1ccccc1-c1noc(C)c1C(=O)Nc1ccc(cc1)C(C)C

InChI:

InChI=1/C20H19ClN2O2/c1-12(2)14-8-10-15(11-9-14)22-20(24)18-13(3)25-23-19(18)16-6-4-5-7-17(16)21/h4-12H,1-3H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.3309 kcal/mol

Physical Properties
Molecular Weight: 354.837 g/mol	logS: -6.94844	SlogP: 5.67912	Reactive groups: 0

Topological Properties
Globularity: 0.0852261	Sterimol/B1: 2.23321	Sterimol/B2: 3.35561	Sterimol/B3: 4.14895
Sterimol/B4: 10.3079	Sterimol/L: 15.8009

Surface and Volume Properties
Accessible surface: 617.539	Positive charged surface: 322.85	Negative charged surface: 294.689	Volume: 336.625
Hydrophobic surface: 527.941	Hydrophilic surface: 89.598

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.