MMsINC Database Search


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MMsINC code: MMs01302464

Type: Neutral
Formula: C₂₃H₁₉ClN₂O

SMILES:

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

InChI:

InChI=1/C23H19ClN2O/c1-15-7-12-20(13-16(15)2)26-14-18-5-3-4-6-21(18)22(26)25-23(27)17-8-10-19(24)11-9-17/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)=131.622 kcal/mol

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

Topological Properties
Globularity: 0.0882164	Sterimol/B1: 2.77806	Sterimol/B2: 3.86985	Sterimol/B3: 4.23146
Sterimol/B4: 9.18211	Sterimol/L: 14.7774

Surface and Volume Properties
Accessible surface: 601.486	Positive charged surface: 327.468	Negative charged surface: 274.018	Volume: 359.25
Hydrophobic surface: 563.3	Hydrophilic surface: 38.186

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.