MMsINC Database Search


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MMsINC code: MMs01943263

Type: Neutral
Formula: C₁₆H₁₉ClN₂O

SMILES:

Clc1cc2cc([nH]c2cc1)C(=O)N(C)C1CCCCC1

InChI:

InChI=1/C16H19ClN2O/c1-19(13-5-3-2-4-6-13)16(20)15-10-11-9-12(17)7-8-14(11)18-15/h7-10,13,18H,2-6H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.8807 kcal/mol

Physical Properties
Molecular Weight: 290.794 g/mol	logS: -4.07327	SlogP: 4.226	Reactive groups: 0

Topological Properties
Globularity: 0.0554077	Sterimol/B1: 2.77496	Sterimol/B2: 3.0678	Sterimol/B3: 4.06196
Sterimol/B4: 5.39641	Sterimol/L: 17.4147

Surface and Volume Properties
Accessible surface: 516.844	Positive charged surface: 302.589	Negative charged surface: 209.133	Volume: 279.375
Hydrophobic surface: 473.963	Hydrophilic surface: 42.881

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.