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MMsINC code: MMs00746273

Type: Neutral
Formula: C₂₃H₁₉ClN₂O₂

SMILES:

Clc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1oc2c(n1)cc(cc2)C(C)C

InChI:

InChI=1/C23H19ClN2O2/c1-14(2)17-7-12-21-20(13-17)26-23(28-21)16-5-10-19(11-6-16)25-22(27)15-3-8-18(24)9-4-15/h3-14H,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.5957 kcal/mol

Physical Properties
Molecular Weight: 390.87 g/mol	logS: -8.90919	SlogP: 6.5239	Reactive groups: 0

Topological Properties
Globularity: 0.0145972	Sterimol/B1: 2.41568	Sterimol/B2: 4.12201	Sterimol/B3: 4.15658
Sterimol/B4: 4.67803	Sterimol/L: 23.5509

Surface and Volume Properties
Accessible surface: 665.543	Positive charged surface: 355.479	Negative charged surface: 310.065	Volume: 369.625
Hydrophobic surface: 552.057	Hydrophilic surface: 113.486

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.