MMsINC Database Search


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MMsINC code: MMs00799362

Type: Neutral
Formula: C₂₁H₁₅ClN₂O₂

SMILES:

Clc1ccccc1C(=O)NCc1ccc(cc1)-c1oc2c(n1)cccc2

InChI:

InChI=1/C21H15ClN2O2/c22-17-6-2-1-5-16(17)20(25)23-13-14-9-11-15(12-10-14)21-24-18-7-3-4-8-19(18)26-21/h1-12H,13H2,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.6743 kcal/mol

Physical Properties
Molecular Weight: 362.816 g/mol	logS: -7.34887	SlogP: 5.3446	Reactive groups: 0

Topological Properties
Globularity: 0.0460465	Sterimol/B1: 2.48132	Sterimol/B2: 3.9569	Sterimol/B3: 3.95718
Sterimol/B4: 6.64653	Sterimol/L: 19.9976

Surface and Volume Properties
Accessible surface: 630.199	Positive charged surface: 321.999	Negative charged surface: 308.2	Volume: 336.375
Hydrophobic surface: 556.294	Hydrophilic surface: 73.905

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.