MMsINC Database Search


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MMsINC code: MMs02913422

Type: Neutral
Formula: C₂₄H₁₉ClN₂O₃

SMILES:

Clc1ccc(cc1)CN1C(=O)/C(/NC1=O)=C\c1ccc(OCc2ccccc2)cc1

InChI:

InChI=1/C24H19ClN2O3/c25-20-10-6-18(7-11-20)15-27-23(28)22(26-24(27)29)14-17-8-12-21(13-9-17)30-16-19-4-2-1-3-5-19/h1-14H,15-16H2,(H,26,29)/b22-14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.9262 kcal/mol

Physical Properties
Molecular Weight: 418.88 g/mol	logS: -6.69423	SlogP: 5.5447	Reactive groups: 0

Topological Properties
Globularity: 0.0483199	Sterimol/B1: 3.18616	Sterimol/B2: 4.67998	Sterimol/B3: 4.77552
Sterimol/B4: 6.84966	Sterimol/L: 19.7197

Surface and Volume Properties
Accessible surface: 700.546	Positive charged surface: 369.994	Negative charged surface: 330.552	Volume: 389.5
Hydrophobic surface: 600.617	Hydrophilic surface: 99.929

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.