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MMsINC code: MMs00491934

Type: Neutral
Formula: C₁₉H₂₁ClN₂O₂

SMILES:

Clc1cc(ccc1)\C=N\NC(=O)COc1cc(ccc1C(C)C)C

InChI:

InChI=1/C19H21ClN2O2/c1-13(2)17-8-7-14(3)9-18(17)24-12-19(23)22-21-11-15-5-4-6-16(20)10-15/h4-11,13H,12H2,1-3H3,(H,22,23)/b21-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.4356 kcal/mol

Physical Properties
Molecular Weight: 344.842 g/mol	logS: -6.01409	SlogP: 4.30092	Reactive groups: 0

Topological Properties
Globularity: 0.020108	Sterimol/B1: 2.01761	Sterimol/B2: 3.62015	Sterimol/B3: 3.62848
Sterimol/B4: 8.94814	Sterimol/L: 18.511

Surface and Volume Properties
Accessible surface: 653.006	Positive charged surface: 373.187	Negative charged surface: 279.819	Volume: 337.125
Hydrophobic surface: 525.658	Hydrophilic surface: 127.348

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.