MMsINC Database Search


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MMsINC code: MMs01816669

Type: Neutral
Formula: C₁₉H₂₀ClN

SMILES:

Clc1ccc(cc1)CN1c2c(cccc2)C(=CC1(C)C)C

InChI:

InChI=1/C19H20ClN/c1-14-12-19(2,3)21(18-7-5-4-6-17(14)18)13-15-8-10-16(20)11-9-15/h4-12H,13H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.622 kcal/mol

Physical Properties
Molecular Weight: 297.829 g/mol	logS: -5.42752	SlogP: 5.8085	Reactive groups: 0

Topological Properties
Globularity: 0.217858	Sterimol/B1: 2.2985	Sterimol/B2: 4.68023	Sterimol/B3: 5.65808
Sterimol/B4: 6.15831	Sterimol/L: 14.0553

Surface and Volume Properties
Accessible surface: 518.618	Positive charged surface: 294.948	Negative charged surface: 223.67	Volume: 301.25
Hydrophobic surface: 477.556	Hydrophilic surface: 41.062

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