MMsINC Database Search


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MMsINC code: MMs02787104

Type: Neutral
Formula: C₂₀H₁₅ClN₂O₃

SMILES:

Clc1cc(ccc1)C(=O)N\C(=C\c1occc1)\C(=O)Nc1ccccc1

InChI:

InChI=1/C20H15ClN2O3/c21-15-7-4-6-14(12-15)19(24)23-18(13-17-10-5-11-26-17)20(25)22-16-8-2-1-3-9-16/h1-13H,(H,22,25)(H,23,24)/b18-13-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.675 kcal/mol

Physical Properties
Molecular Weight: 366.804 g/mol	logS: -6.35257	SlogP: 4.3426	Reactive groups: 0

Topological Properties
Globularity: 0.031647	Sterimol/B1: 3.07198	Sterimol/B2: 3.88131	Sterimol/B3: 4.27444
Sterimol/B4: 8.31096	Sterimol/L: 16.6934

Surface and Volume Properties
Accessible surface: 614.276	Positive charged surface: 282.65	Negative charged surface: 331.626	Volume: 332.5
Hydrophobic surface: 549.225	Hydrophilic surface: 65.051

Pharmacophoric Properties
Hydrogen bond donors: 2	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.