MMsINC Database Search


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MMsINC code: MMs01730302

Type: Neutral
Formula: C₂₀H₁₅ClN₂

SMILES:

Clc1cc(Nc2cc(nc3c2ccc2c3cccc2)C)ccc1

InChI:

InChI=1/C20H15ClN2/c1-13-11-19(23-16-7-4-6-15(21)12-16)18-10-9-14-5-2-3-8-17(14)20(18)22-13/h2-12H,1H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.054 kcal/mol

Physical Properties
Molecular Weight: 318.807 g/mol	logS: -6.5193	SlogP: 6.09342	Reactive groups: 0

Topological Properties
Globularity: 0.0282727	Sterimol/B1: 2.03291	Sterimol/B2: 2.38187	Sterimol/B3: 4.44895
Sterimol/B4: 8.18853	Sterimol/L: 16.485

Surface and Volume Properties
Accessible surface: 548.837	Positive charged surface: 272.436	Negative charged surface: 260.739	Volume: 303.5
Hydrophobic surface: 527.173	Hydrophilic surface: 21.664

Pharmacophoric Properties
Hydrogen bond donors: 1	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.