MMsINC Database Search


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MMsINC code: MMs00941602

Type: Neutral
Formula: C₂₃H₁₉ClN₂O₂

SMILES:

Clc1cc(ccc1)C(=O)Nc1ccc(cc1)-c1oc2c(n1)cc(cc2)C(C)C

InChI:

InChI=1/C23H19ClN2O2/c1-14(2)16-8-11-21-20(13-16)26-23(28-21)15-6-9-19(10-7-15)25-22(27)17-4-3-5-18(24)12-17/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)=94.0184 kcal/mol

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

Topological Properties
Globularity: 0.01488	Sterimol/B1: 2.41692	Sterimol/B2: 4.13101	Sterimol/B3: 4.65618
Sterimol/B4: 4.72155	Sterimol/L: 22.3385

Surface and Volume Properties
Accessible surface: 676.969	Positive charged surface: 364.439	Negative charged surface: 312.53	Volume: 369.25
Hydrophobic surface: 561.818	Hydrophilic surface: 115.151

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.