MMsINC Database Search


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MMsINC code: MMs02548563

Type: Neutral
Formula: C₁₅H₁₆ClNO

SMILES:

Clc1cc(ccc1)C(O)c1ccc(N(C)C)cc1

InChI:

InChI=1/C15H16ClNO/c1-17(2)14-8-6-11(7-9-14)15(18)12-4-3-5-13(16)10-12/h3-10,15,18H,1-2H3/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.7168 kcal/mol

Physical Properties
Molecular Weight: 261.752 g/mol	logS: -3.5855	SlogP: 3.5832	Reactive groups: 0

Topological Properties
Globularity: 0.129287	Sterimol/B1: 2.60192	Sterimol/B2: 3.21734	Sterimol/B3: 5.01181
Sterimol/B4: 5.95482	Sterimol/L: 13.4761

Surface and Volume Properties
Accessible surface: 491.606	Positive charged surface: 285.086	Negative charged surface: 206.521	Volume: 256.5
Hydrophobic surface: 453.047	Hydrophilic surface: 38.559

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