MMsINC Database Search


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MMsINC code: MMs01717439

Type: Neutral
Formula: C₂₃H₁₉ClN₂O

SMILES:

Clc1ccc(cc1)C(=O)\N=C/1\N(Cc2c\1cccc2)c1cc(cc(c1)C)C

InChI:

InChI=1/C23H19ClN2O/c1-15-11-16(2)13-20(12-15)26-14-18-5-3-4-6-21(18)22(26)25-23(27)17-7-9-19(24)10-8-17/h3-13H,14H2,1-2H3/b25-22+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.865 kcal/mol

Physical Properties
Molecular Weight: 374.871 g/mol	logS: -7.30339	SlogP: 5.83044	Reactive groups: 0

Topological Properties
Globularity: 0.0635219	Sterimol/B1: 3.42739	Sterimol/B2: 4.28484	Sterimol/B3: 6.22894
Sterimol/B4: 7.02737	Sterimol/L: 15.6308

Surface and Volume Properties
Accessible surface: 630.096	Positive charged surface: 328.667	Negative charged surface: 301.429	Volume: 360.25
Hydrophobic surface: 594.167	Hydrophilic surface: 35.929

Pharmacophoric Properties
Hydrogen bond donors: 0	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.