MMsINC Database Search


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MMsINC code: MMs00991642

Type: Neutral
Formula: C₂₁H₁₉ClN₂O₂

SMILES:

Clc1ccccc1CNC(=O)Cn1cccc1C(=O)c1ccccc1C

InChI:

InChI=1/C21H19ClN2O2/c1-15-7-2-4-9-17(15)21(26)19-11-6-12-24(19)14-20(25)23-13-16-8-3-5-10-18(16)22/h2-12H,13-14H2,1H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.384 kcal/mol

Physical Properties
Molecular Weight: 366.848 g/mol	logS: -5.09652	SlogP: 4.53012	Reactive groups: 0

Topological Properties
Globularity: 0.0766132	Sterimol/B1: 2.17014	Sterimol/B2: 3.8089	Sterimol/B3: 5.96394
Sterimol/B4: 6.70423	Sterimol/L: 17.5577

Surface and Volume Properties
Accessible surface: 627.373	Positive charged surface: 331.768	Negative charged surface: 295.605	Volume: 352
Hydrophobic surface: 553.933	Hydrophilic surface: 73.44

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.