MMsINC Database Search


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MMsINC code: MMs00608280

Type: Neutral
Formula: C₁₇H₁₃ClN₂O₂

SMILES:

Clc1ccc(NC(=O)c2c(noc2C)-c2ccccc2)cc1

InChI:

InChI=1/C17H13ClN2O2/c1-11-15(16(20-22-11)12-5-3-2-4-6-12)17(21)19-14-9-7-13(18)8-10-14/h2-10H,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.25 kcal/mol

Physical Properties
Molecular Weight: 312.756 g/mol	logS: -5.44408	SlogP: 4.55572	Reactive groups: 0

Topological Properties
Globularity: 0.078587	Sterimol/B1: 2.4461	Sterimol/B2: 3.1013	Sterimol/B3: 3.64863
Sterimol/B4: 9.41347	Sterimol/L: 15.1593

Surface and Volume Properties
Accessible surface: 539.788	Positive charged surface: 232.49	Negative charged surface: 307.299	Volume: 284.75
Hydrophobic surface: 477.351	Hydrophilic surface: 62.437

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

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Ions/Tautomers related molecules: no related molecules available.