MMsINC Database Search


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MMsINC code: MMs00190344

Type: Neutral
Formula: C₂₃H₁₇ClN₂O₃

SMILES:

Clc1ccccc1NC(=O)C(N1C(=O)c2c(cccc2)C1=O)Cc1ccccc1

InChI:

InChI=1/C23H17ClN2O3/c24-18-12-6-7-13-19(18)25-21(27)20(14-15-8-2-1-3-9-15)26-22(28)16-10-4-5-11-17(16)23(26)29/h1-13,20H,14H2,(H,25,27)/t20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.503 kcal/mol

Physical Properties
Molecular Weight: 404.853 g/mol	logS: -6.49482	SlogP: 4.18597	Reactive groups: 0

Topological Properties
Globularity: 0.0766843	Sterimol/B1: 2.9063	Sterimol/B2: 3.66758	Sterimol/B3: 4.06244
Sterimol/B4: 9.78215	Sterimol/L: 15.3

Surface and Volume Properties
Accessible surface: 637.738	Positive charged surface: 302.717	Negative charged surface: 335.021	Volume: 368.875
Hydrophobic surface: 565.155	Hydrophilic surface: 72.583

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.