MMsINC Database Search


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MMsINC code: MMs00294707

Type: Neutral
Formula: C₂₀H₂₃ClN₂O

SMILES:

Clc1ccc(NC(=O)CC2N(C)C(Cc3c2cccc3)(C)C)cc1

InChI:

InChI=1/C20H23ClN2O/c1-20(2)13-14-6-4-5-7-17(14)18(23(20)3)12-19(24)22-16-10-8-15(21)9-11-16/h4-11,18H,12-13H2,1-3H3,(H,22,24)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.387 kcal/mol

Physical Properties
Molecular Weight: 342.87 g/mol	logS: -4.70726	SlogP: 4.77187	Reactive groups: 0

Topological Properties
Globularity: 0.23071	Sterimol/B1: 2.31333	Sterimol/B2: 3.31917	Sterimol/B3: 5.28072
Sterimol/B4: 8.48772	Sterimol/L: 15.051

Surface and Volume Properties
Accessible surface: 574.707	Positive charged surface: 333.749	Negative charged surface: 240.958	Volume: 335
Hydrophobic surface: 519.876	Hydrophilic surface: 54.831

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs00294708
ASINEX-ZINC03957433