MMsINC Database Search


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MMsINC code: MMs01578808

Type: Neutral
Formula: C₂₂H₁₉ClN₂O₃

SMILES:

Clc1cc(C(OCC(=O)NC(c2ccccc2)c2ccccc2)=O)c(N)cc1

InChI:

InChI=1/C22H19ClN2O3/c23-17-11-12-19(24)18(13-17)22(27)28-14-20(26)25-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,21H,14,24H2,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.9322 kcal/mol

Physical Properties
Molecular Weight: 394.858 g/mol	logS: -5.93015	SlogP: 4.0803	Reactive groups: 0

Topological Properties
Globularity: 0.0878639	Sterimol/B1: 2.39256	Sterimol/B2: 3.27886	Sterimol/B3: 5.91249
Sterimol/B4: 8.43996	Sterimol/L: 17.753

Surface and Volume Properties
Accessible surface: 677.799	Positive charged surface: 352.226	Negative charged surface: 325.574	Volume: 368.125
Hydrophobic surface: 561.767	Hydrophilic surface: 116.032

Pharmacophoric Properties
Hydrogen bond donors: 2	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.