MMsINC Database Search


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MMsINC code: MMs01975217

Type: Neutral
Formula: C₁₇H₁₅ClN₂

SMILES:

Clc1cc2c(nc(cc2Nc2cc(ccc2)C)C)cc1

InChI:

InChI=1/C17H15ClN2/c1-11-4-3-5-14(8-11)20-17-9-12(2)19-16-7-6-13(18)10-15(16)17/h3-10H,1-2H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.9195 kcal/mol

Physical Properties
Molecular Weight: 282.774 g/mol	logS: -5.11534	SlogP: 5.24864	Reactive groups: 0

Topological Properties
Globularity: 0.0513406	Sterimol/B1: 2.47497	Sterimol/B2: 4.2055	Sterimol/B3: 4.86593
Sterimol/B4: 6.78241	Sterimol/L: 14.723

Surface and Volume Properties
Accessible surface: 517.935	Positive charged surface: 269.797	Negative charged surface: 243.027	Volume: 273.625
Hydrophobic surface: 491.141	Hydrophilic surface: 26.794

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.