MMsINC Database Search


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MMsINC code: MMs00670015

Type: Neutral
Formula: C₁₉H₁₉ClN₂O₄

SMILES:

Clc1cc([N+](=O)[O-])ccc1Oc1cc(ccc1)C(=O)N1CCCCCC1

InChI:

InChI=1/C19H19ClN2O4/c20-17-13-15(22(24)25)8-9-18(17)26-16-7-5-6-14(12-16)19(23)21-10-3-1-2-4-11-21/h5-9,12-13H,1-4,10-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.996 kcal/mol

Physical Properties
Molecular Weight: 374.824 g/mol	logS: -5.68817	SlogP: 5.0567	Reactive groups: 0

Topological Properties
Globularity: 0.129891	Sterimol/B1: 2.12738	Sterimol/B2: 3.00193	Sterimol/B3: 5.4038
Sterimol/B4: 8.64012	Sterimol/L: 14.6718

Surface and Volume Properties
Accessible surface: 592.579	Positive charged surface: 303.018	Negative charged surface: 289.561	Volume: 332.125
Hydrophobic surface: 480.181	Hydrophilic surface: 112.398

Pharmacophoric Properties
Hydrogen bond donors: 0	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.