MMsINC Database Search


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MMsINC code: MMs03941813

Type: Neutral
Formula: C₂₀H₁₆ClN₃O₂

SMILES:

Clc1ccc(cc1NC(=O)c1cccnc1)C(=O)Nc1ccccc1C

InChI:

InChI=1/C20H16ClN3O2/c1-13-5-2-3-7-17(13)23-19(25)14-8-9-16(21)18(11-14)24-20(26)15-6-4-10-22-12-15/h2-12H,1H3,(H,23,25)(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.845 kcal/mol

Physical Properties
Molecular Weight: 365.82 g/mol	logS: -4.96148	SlogP: 4.54802	Reactive groups: 0

Topological Properties
Globularity: 0.0120499	Sterimol/B1: 2.21835	Sterimol/B2: 3.31631	Sterimol/B3: 4.83587
Sterimol/B4: 6.56378	Sterimol/L: 18.6699

Surface and Volume Properties
Accessible surface: 613.848	Positive charged surface: 331.84	Negative charged surface: 282.008	Volume: 335.125
Hydrophobic surface: 537.769	Hydrophilic surface: 76.079

Pharmacophoric Properties
Hydrogen bond donors: 2	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.