MMsINC Database Search


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MMsINC code: MMs00144222

Type: Neutral
Formula: C₁₉H₁₇ClN₂O₃

SMILES:

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

InChI:

InChI=1/C19H17ClN2O3/c1-3-24-14-10-8-13(9-11-14)21-19(23)17-12(2)25-22-18(17)15-6-4-5-7-16(15)20/h4-11H,3H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.6005 kcal/mol

Physical Properties
Molecular Weight: 356.809 g/mol	logS: -5.82167	SlogP: 4.95442	Reactive groups: 0

Topological Properties
Globularity: 0.0792731	Sterimol/B1: 3.15683	Sterimol/B2: 4.43593	Sterimol/B3: 5.45673
Sterimol/B4: 7.08061	Sterimol/L: 16.6985

Surface and Volume Properties
Accessible surface: 615.444	Positive charged surface: 323.84	Negative charged surface: 291.604	Volume: 328.625
Hydrophobic surface: 537.234	Hydrophilic surface: 78.21

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.