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MMsINC code: MMs00764801

Type: Neutral
Formula: C₁₈H₁₉ClN₂O₃

SMILES:

ClC=1CC2C(CC=1)C(=O)N(C(C(=O)NCc1ccccc1)C)C2=O

InChI:

InChI=1/C18H19ClN2O3/c1-11(16(22)20-10-12-5-3-2-4-6-12)21-17(23)14-8-7-13(19)9-15(14)18(21)24/h2-7,11,14-15H,8-10H2,1H3,(H,20,22)/t11-,14-,15+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.2125 kcal/mol

Physical Properties
Molecular Weight: 346.814 g/mol	logS: -3.22324	SlogP: 2.5843	Reactive groups: 0

Topological Properties
Globularity: 0.0973534	Sterimol/B1: 2.27819	Sterimol/B2: 4.41858	Sterimol/B3: 4.6257
Sterimol/B4: 7.0347	Sterimol/L: 16.8684

Surface and Volume Properties
Accessible surface: 586.916	Positive charged surface: 323.643	Negative charged surface: 263.273	Volume: 316
Hydrophobic surface: 465.831	Hydrophilic surface: 121.085

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

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.