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MMsINC code: MMs01306015

Type: Neutral
Formula: C₂₀H₂₃ClN₂O₂

SMILES:

Clc1ccc(cc1)C(=O)NC(C(N1CCOCC1)c1ccccc1)C

InChI:

InChI=1/C20H23ClN2O2/c1-15(22-20(24)17-7-9-18(21)10-8-17)19(16-5-3-2-4-6-16)23-11-13-25-14-12-23/h2-10,15,19H,11-14H2,1H3,(H,22,24)/t15-,19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.552 kcal/mol

Physical Properties
Molecular Weight: 358.869 g/mol	logS: -4.54978	SlogP: 3.6273	Reactive groups: 0

Topological Properties
Globularity: 0.315025	Sterimol/B1: 2.17484	Sterimol/B2: 4.68789	Sterimol/B3: 6.92381
Sterimol/B4: 7.2328	Sterimol/L: 14.0744

Surface and Volume Properties
Accessible surface: 590.474	Positive charged surface: 347.744	Negative charged surface: 242.729	Volume: 345.625
Hydrophobic surface: 535.073	Hydrophilic surface: 55.401

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs01306016
ENAMINE-ZINC03206158