MMsINC Database Search


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MMsINC code: MMs02673469

Type: Neutral
Formula: C₁₇H₁₉ClN₂O

SMILES:

Clc1cc(NC(=O)N(Cc2ccccc2)C(C)C)ccc1

InChI:

InChI=1/C17H19ClN2O/c1-13(2)20(12-14-7-4-3-5-8-14)17(21)19-16-10-6-9-15(18)11-16/h3-11,13H,12H2,1-2H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.0307 kcal/mol

Physical Properties
Molecular Weight: 302.805 g/mol	logS: -4.47881	SlogP: 5.0489	Reactive groups: 0

Topological Properties
Globularity: 0.108679	Sterimol/B1: 2.3442	Sterimol/B2: 3.46017	Sterimol/B3: 4.00351
Sterimol/B4: 9.26265	Sterimol/L: 14.2123

Surface and Volume Properties
Accessible surface: 533.973	Positive charged surface: 277.002	Negative charged surface: 256.971	Volume: 296.5
Hydrophobic surface: 468.397	Hydrophilic surface: 65.576

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.