MMsINC Database Search


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MMsINC code: MMs00624103

Type: Neutral
Formula: C₁₈H₂₀ClNO₃

SMILES:

Clc1cc(NC(=O)C(Oc2cccc(C)c2C)C)c(OC)cc1

InChI:

InChI=1/C18H20ClNO3/c1-11-6-5-7-16(12(11)2)23-13(3)18(21)20-15-10-14(19)8-9-17(15)22-4/h5-10,13H,1-4H3,(H,20,21)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.962 kcal/mol

Physical Properties
Molecular Weight: 333.815 g/mol	logS: -5.17796	SlogP: 4.37144	Reactive groups: 0

Topological Properties
Globularity: 0.0468775	Sterimol/B1: 3.49521	Sterimol/B2: 3.70973	Sterimol/B3: 5.35162
Sterimol/B4: 5.39605	Sterimol/L: 16.6519

Surface and Volume Properties
Accessible surface: 599.099	Positive charged surface: 351.679	Negative charged surface: 247.419	Volume: 316.75
Hydrophobic surface: 542.404	Hydrophilic surface: 56.695

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.