MMsINC Database Search


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

MMsINC code: MMs01614857

Type: Neutral
Formula: C₁₅H₁₁ClN₂O₂

SMILES:

Clc1ncccc1NC(=O)c1oc2c(cccc2)c1C

InChI:

InChI=1/C15H11ClN2O2/c1-9-10-5-2-3-7-12(10)20-13(9)15(19)18-11-6-4-8-17-14(11)16/h2-8H,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.7313 kcal/mol

Physical Properties
Molecular Weight: 286.718 g/mol	logS: -4.901	SlogP: 4.04192	Reactive groups: 0

Topological Properties
Globularity: 0.0141767	Sterimol/B1: 1.97531	Sterimol/B2: 2.77419	Sterimol/B3: 2.91092
Sterimol/B4: 7.62849	Sterimol/L: 16.0093

Surface and Volume Properties
Accessible surface: 497.05	Positive charged surface: 264.025	Negative charged surface: 227.373	Volume: 255.75
Hydrophobic surface: 437.943	Hydrophilic surface: 59.107

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.