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MMsINC code: MMs00186397

Type: Neutral
Formula: C₂₃H₁₉ClN₂O₃

SMILES:

Clc1ccc(NC(=O)c2cc(OC)ccc2)cc1-c1oc2cc(C)c(cc2n1)C

InChI:

InChI=1/C23H19ClN2O3/c1-13-9-20-21(10-14(13)2)29-23(26-20)18-12-16(7-8-19(18)24)25-22(27)15-5-4-6-17(11-15)28-3/h4-12H,1-3H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.653 kcal/mol

Physical Properties
Molecular Weight: 406.869 g/mol	logS: -8.40305	SlogP: 6.02594	Reactive groups: 0

Topological Properties
Globularity: 0.0124445	Sterimol/B1: 2.64246	Sterimol/B2: 2.66906	Sterimol/B3: 3.03017
Sterimol/B4: 10.2427	Sterimol/L: 19.2529

Surface and Volume Properties
Accessible surface: 679.782	Positive charged surface: 392.633	Negative charged surface: 287.149	Volume: 372.875
Hydrophobic surface: 602.422	Hydrophilic surface: 77.36

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.