MMsINC Database Search


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MMsINC code: MMs01978330

Type: Neutral
Formula: C₁₇H₁₅ClN₂

SMILES:

Clc1cccc(Nc2nc3c(cccc3)c(c2)C)c1C

InChI:

InChI=1/C17H15ClN2/c1-11-10-17(20-16-8-4-3-6-13(11)16)19-15-9-5-7-14(18)12(15)2/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)=84.0312 kcal/mol

Physical Properties
Molecular Weight: 282.774 g/mol	logS: -5.27368	SlogP: 5.24864	Reactive groups: 0

Topological Properties
Globularity: 0.0281308	Sterimol/B1: 2.28382	Sterimol/B2: 2.51349	Sterimol/B3: 3.14393
Sterimol/B4: 7.59808	Sterimol/L: 15.0101

Surface and Volume Properties
Accessible surface: 506.065	Positive charged surface: 259.303	Negative charged surface: 242.001	Volume: 272.375
Hydrophobic surface: 479.732	Hydrophilic surface: 26.333

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.