MMsINC Database Search


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MMsINC code: MMs00607207

Type: Neutral
Formula: C₁₇H₁₃ClN₂O₃

SMILES:

Clc1cc(NC(=O)CN2C(=O)c3c(cccc3)C2=O)ccc1C

InChI:

InChI=1/C17H13ClN2O3/c1-10-6-7-11(8-14(10)18)19-15(21)9-20-16(22)12-4-2-3-5-13(12)17(20)23/h2-8H,9H2,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.3829 kcal/mol

Physical Properties
Molecular Weight: 328.755 g/mol	logS: -4.82592	SlogP: 2.88312	Reactive groups: 0

Topological Properties
Globularity: 0.0634675	Sterimol/B1: 2.49532	Sterimol/B2: 3.63274	Sterimol/B3: 4.57465
Sterimol/B4: 5.99035	Sterimol/L: 16.6545

Surface and Volume Properties
Accessible surface: 554.813	Positive charged surface: 280.853	Negative charged surface: 273.96	Volume: 288.375
Hydrophobic surface: 433.843	Hydrophilic surface: 120.97

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.