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MMsINC code: MMs02202233

Type: Neutral
Formula: C₁₁H₁₅ClN₂O₂

SMILES:

Clc1ncccc1C(OCCCN(C)C)=O

InChI:

InChI=1/C11H15ClN2O2/c1-14(2)7-4-8-16-11(15)9-5-3-6-13-10(9)12/h3,5-6H,4,7-8H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.3396 kcal/mol

Physical Properties
Molecular Weight: 242.706 g/mol	logS: -1.65368	SlogP: 1.8435	Reactive groups: 0

Topological Properties
Globularity: 0.0276391	Sterimol/B1: 2.42619	Sterimol/B2: 2.64924	Sterimol/B3: 3.5581
Sterimol/B4: 6.28853	Sterimol/L: 15.8271

Surface and Volume Properties
Accessible surface: 478.837	Positive charged surface: 343.938	Negative charged surface: 134.899	Volume: 229.625
Hydrophobic surface: 422.797	Hydrophilic surface: 56.04

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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

MMs02202234
NANOSIN-ZINC02471191