MMsINC Database Search


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MMsINC code: MMs01955218

Type: Neutral
Formula: C₂₃H₁₉ClN₂O₂

SMILES:

Clc1ccc(Oc2nc(nc3c2cccc3)-c2ccc(OC(C)C)cc2)cc1

InChI:

InChI=1/C23H19ClN2O2/c1-15(2)27-18-11-7-16(8-12-18)22-25-21-6-4-3-5-20(21)23(26-22)28-19-13-9-17(24)10-14-19/h3-15H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.153 kcal/mol

Physical Properties
Molecular Weight: 390.87 g/mol	logS: -8.35314	SlogP: 6.5297	Reactive groups: 0

Topological Properties
Globularity: 0.0465733	Sterimol/B1: 2.89325	Sterimol/B2: 4.31461	Sterimol/B3: 7.39771
Sterimol/B4: 7.84834	Sterimol/L: 16.528

Surface and Volume Properties
Accessible surface: 673.856	Positive charged surface: 356.999	Negative charged surface: 305.201	Volume: 369.875
Hydrophobic surface: 599.616	Hydrophilic surface: 74.24

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.