MMsINC Database Search


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MMsINC code: MMs02915977

Type: Neutral
Formula: C₁₇H₂₁ClN₂O₂

SMILES:

Clc1ccccc1-c1noc(C)c1C(=O)N(C(C)C)C(C)C

InChI:

InChI=1/C17H21ClN2O2/c1-10(2)20(11(3)4)17(21)15-12(5)22-19-16(15)13-8-6-7-9-14(13)18/h6-11H,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.5915 kcal/mol

Physical Properties
Molecular Weight: 320.82 g/mol	logS: -4.82307	SlogP: 4.56242	Reactive groups: 0

Topological Properties
Globularity: 0.339931	Sterimol/B1: 2.46818	Sterimol/B2: 2.85298	Sterimol/B3: 5.73451
Sterimol/B4: 8.29333	Sterimol/L: 12.0456

Surface and Volume Properties
Accessible surface: 511.31	Positive charged surface: 268.755	Negative charged surface: 242.555	Volume: 310.625
Hydrophobic surface: 413.939	Hydrophilic surface: 97.371

Pharmacophoric Properties
Hydrogen bond donors: 0	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.