MMsINC Database Search


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MMsINC code: MMs00562775

Type: Neutral
Formula: C₂₃H₁₇ClN₂O₂

SMILES:

Clc1ccccc1-c1noc(C)c1C(=O)Nc1ccccc1-c1ccccc1

InChI:

InChI=1/C23H17ClN2O2/c1-15-21(22(26-28-15)18-12-5-7-13-19(18)24)23(27)25-20-14-8-6-11-17(20)16-9-3-2-4-10-16/h2-14H,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.977 kcal/mol

Physical Properties
Molecular Weight: 388.854 g/mol	logS: -7.87046	SlogP: 6.22272	Reactive groups: 0

Topological Properties
Globularity: 0.376123	Sterimol/B1: 2.25547	Sterimol/B2: 2.56849	Sterimol/B3: 7.04667
Sterimol/B4: 9.79743	Sterimol/L: 12.57

Surface and Volume Properties
Accessible surface: 597.089	Positive charged surface: 280.435	Negative charged surface: 312.998	Volume: 363.875
Hydrophobic surface: 555.213	Hydrophilic surface: 41.876

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.