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MMsINC code: MMs00764803

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)=39.1995 kcal/mol

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

Topological Properties
Globularity: 0.0673371	Sterimol/B1: 2.21541	Sterimol/B2: 4.12062	Sterimol/B3: 4.25412
Sterimol/B4: 5.73758	Sterimol/L: 18.6636

Surface and Volume Properties
Accessible surface: 588.235	Positive charged surface: 323.02	Negative charged surface: 265.215	Volume: 320.375
Hydrophobic surface: 461.819	Hydrophilic surface: 126.416

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.