MMsINC Database Search


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MMsINC code: MMs02693520

Type: Neutral
Formula: C₁₆H₁₉ClN₂O

SMILES:

Clc1cc(NCc2ccc(N(C)C)cc2)ccc1OC

InChI:

InChI=1/C16H19ClN2O/c1-19(2)14-7-4-12(5-8-14)11-18-13-6-9-16(20-3)15(17)10-13/h4-10,18H,11H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.3936 kcal/mol

Physical Properties
Molecular Weight: 290.794 g/mol	logS: -3.66132	SlogP: 4.2931	Reactive groups: 0

Topological Properties
Globularity: 0.0554645	Sterimol/B1: 2.35802	Sterimol/B2: 3.05518	Sterimol/B3: 4.88819
Sterimol/B4: 5.51381	Sterimol/L: 18.3607

Surface and Volume Properties
Accessible surface: 555.438	Positive charged surface: 383.063	Negative charged surface: 172.375	Volume: 288.375
Hydrophobic surface: 532.045	Hydrophilic surface: 23.393

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.