MMsINC Database Search


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MMsINC code: MMs01539357

Type: Neutral
Formula: C₁₉H₁₉ClN₂O₃

SMILES:

Clc1ccc(cc1)C1(NC(=O)N(CCOc2ccc(cc2)C)C1=O)C

InChI:

InChI=1/C19H19ClN2O3/c1-13-3-9-16(10-4-13)25-12-11-22-17(23)19(2,21-18(22)24)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,24)/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.2038 kcal/mol

Physical Properties
Molecular Weight: 358.825 g/mol	logS: -5.18253	SlogP: 3.80592	Reactive groups: 0

Topological Properties
Globularity: 0.0671586	Sterimol/B1: 3.03931	Sterimol/B2: 3.16105	Sterimol/B3: 4.93081
Sterimol/B4: 5.03295	Sterimol/L: 19.7294

Surface and Volume Properties
Accessible surface: 608.325	Positive charged surface: 324.335	Negative charged surface: 283.99	Volume: 331.375
Hydrophobic surface: 517.11	Hydrophilic surface: 91.215

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.