MMsINC Database Search


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MMsINC code: MMs02111866

Type: Neutral
Formula: C₂₀H₁₅ClN₂O

SMILES:

Clc1ccc(cc1)-c1nc2c(n1OCc1ccccc1)cccc2

InChI:

InChI=1/C20H15ClN2O/c21-17-12-10-16(11-13-17)20-22-18-8-4-5-9-19(18)23(20)24-14-15-6-2-1-3-7-15/h1-13H,14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.7641 kcal/mol

Physical Properties
Molecular Weight: 334.806 g/mol	logS: -7.01922	SlogP: 5.2519	Reactive groups: 0

Topological Properties
Globularity: 0.0260265	Sterimol/B1: 2.59712	Sterimol/B2: 2.97295	Sterimol/B3: 3.47309
Sterimol/B4: 10.0976	Sterimol/L: 14.6696

Surface and Volume Properties
Accessible surface: 568.751	Positive charged surface: 264.019	Negative charged surface: 304.732	Volume: 316.875
Hydrophobic surface: 538.141	Hydrophilic surface: 30.61

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.