MMsINC Database Search


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MMsINC code: MMs02557487

Type: Neutral
Formula: C₁₉H₁₉ClN₂

SMILES:

Clc1cc(Nc2cc(nc3c2cc(cc3C)C)C)ccc1C

InChI:

InChI=1/C19H19ClN2/c1-11-7-13(3)19-16(8-11)18(9-14(4)21-19)22-15-6-5-12(2)17(20)10-15/h5-10H,1-4H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.7456 kcal/mol

Physical Properties
Molecular Weight: 310.828 g/mol	logS: -5.43628	SlogP: 5.86548	Reactive groups: 0

Topological Properties
Globularity: 0.0350124	Sterimol/B1: 3.11343	Sterimol/B2: 3.7896	Sterimol/B3: 5.11396
Sterimol/B4: 6.05125	Sterimol/L: 15.4546

Surface and Volume Properties
Accessible surface: 562.745	Positive charged surface: 316.657	Negative charged surface: 241.189	Volume: 307.75
Hydrophobic surface: 541.755	Hydrophilic surface: 20.99

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.