MMsINC Database Search


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MMsINC code: MMs00920040

Type: Neutral
Formula: C₁₈H₁₅ClN₂O₂

SMILES:

Clc1cc(ccc1)-c1onc(c1)C(=O)N(Cc1ccccc1)C

InChI:

InChI=1/C18H15ClN2O2/c1-21(12-13-6-3-2-4-7-13)18(22)16-11-17(23-20-16)14-8-5-9-15(19)10-14/h2-11H,12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.8028 kcal/mol

Physical Properties
Molecular Weight: 326.783 g/mol	logS: -5.12166	SlogP: 4.5336	Reactive groups: 0

Topological Properties
Globularity: 0.0550907	Sterimol/B1: 2.26157	Sterimol/B2: 3.71473	Sterimol/B3: 3.72926
Sterimol/B4: 7.39123	Sterimol/L: 16.8646

Surface and Volume Properties
Accessible surface: 562.277	Positive charged surface: 294.889	Negative charged surface: 267.388	Volume: 304.75
Hydrophobic surface: 510.074	Hydrophilic surface: 52.203

Pharmacophoric Properties
Hydrogen bond donors: 0	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

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Ions/Tautomers related molecules: no related molecules available.