MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01381415

Type: Neutral
Formula: C₁₉H₁₁ClFNO₄

SMILES:

Clc1cc([N+](=O)[O-])ccc1Oc1ccc(cc1)C(=O)c1ccc(F)cc1

InChI:

InChI=1/C19H11ClFNO4/c20-17-11-15(22(24)25)7-10-18(17)26-16-8-3-13(4-9-16)19(23)12-1-5-14(21)6-2-12/h1-11H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.119 kcal/mol

Physical Properties
Molecular Weight: 371.751 g/mol	logS: -7.0599	SlogP: 5.4106	Reactive groups: 0

Topological Properties
Globularity: 0.0561359	Sterimol/B1: 2.22531	Sterimol/B2: 3.29827	Sterimol/B3: 5.20263
Sterimol/B4: 5.9705	Sterimol/L: 18.2914

Surface and Volume Properties
Accessible surface: 586.831	Positive charged surface: 223.454	Negative charged surface: 363.377	Volume: 311.875
Hydrophobic surface: 469.662	Hydrophilic surface: 117.169

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.