MMsINC Database Search


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MMsINC code: MMs02214828

Type: Neutral
Formula: C₁₅H₂₁ClN₂O

SMILES:

Clc1ccc(NC(=O)N(CC)C2CCCCC2)cc1

InChI:

InChI=1/C15H21ClN2O/c1-2-18(14-6-4-3-5-7-14)15(19)17-13-10-8-12(16)9-11-13/h8-11,14H,2-7H2,1H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.0593 kcal/mol

Physical Properties
Molecular Weight: 280.799 g/mol	logS: -3.85484	SlogP: 4.5265	Reactive groups: 0

Topological Properties
Globularity: 0.10764	Sterimol/B1: 2.52906	Sterimol/B2: 3.56285	Sterimol/B3: 4.09835
Sterimol/B4: 7.9277	Sterimol/L: 14.7078

Surface and Volume Properties
Accessible surface: 508.704	Positive charged surface: 317.01	Negative charged surface: 191.694	Volume: 274.75
Hydrophobic surface: 471.741	Hydrophilic surface: 36.963

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