MMsINC Database Search


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MMsINC code: MMs01261485

Type: Neutral
Formula: C₁₈H₁₇ClN₂O₂

SMILES:

Clc1ccc(cc1)CN1C(=O)C(NC1=O)(C)c1ccc(cc1)C

InChI:

InChI=1/C18H17ClN2O2/c1-12-3-7-14(8-4-12)18(2)16(22)21(17(23)20-18)11-13-5-9-15(19)10-6-13/h3-10H,11H2,1-2H3,(H,20,23)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.9005 kcal/mol

Physical Properties
Molecular Weight: 328.799 g/mol	logS: -5.10571	SlogP: 4.19352	Reactive groups: 0

Topological Properties
Globularity: 0.090944	Sterimol/B1: 3.21496	Sterimol/B2: 3.46611	Sterimol/B3: 4.737
Sterimol/B4: 4.77363	Sterimol/L: 17.5463

Surface and Volume Properties
Accessible surface: 559.782	Positive charged surface: 284.744	Negative charged surface: 275.038	Volume: 308.25
Hydrophobic surface: 461.796	Hydrophilic surface: 97.986

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.