MMsINC Database Search


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MMsINC code: MMs02989426

Type: Neutral
Formula: C₁₉H₁₉ClN₂O₂

SMILES:

Clc1cc(NC(=O)C2CC(=O)N(C2)c2ccc(cc2)C)c(cc1)C

InChI:

InChI=1/C19H19ClN2O2/c1-12-3-7-16(8-4-12)22-11-14(9-18(22)23)19(24)21-17-10-15(20)6-5-13(17)2/h3-8,10,14H,9,11H2,1-2H3,(H,21,24)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.9143 kcal/mol

Physical Properties
Molecular Weight: 342.826 g/mol	logS: -4.63333	SlogP: 3.94844	Reactive groups: 0

Topological Properties
Globularity: 0.0638694	Sterimol/B1: 3.6024	Sterimol/B2: 3.96894	Sterimol/B3: 4.92805
Sterimol/B4: 6.47637	Sterimol/L: 17.022

Surface and Volume Properties
Accessible surface: 595.376	Positive charged surface: 321.159	Negative charged surface: 274.217	Volume: 322.25
Hydrophobic surface: 538.595	Hydrophilic surface: 56.781

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.