MMsINC Database Search


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MMsINC code: MMs02774947

Type: Neutral
Formula: C₂₄H₂₃ClN₂O₃

SMILES:

Clc1cccc(NC(=O)COc2ccccc2C(=O)Nc2cc(cc(c2)C)C)c1C

InChI:

InChI=1/C24H23ClN2O3/c1-15-11-16(2)13-18(12-15)26-24(29)19-7-4-5-10-22(19)30-14-23(28)27-21-9-6-8-20(25)17(21)3/h4-13H,14H2,1-3H3,(H,26,29)(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.316 kcal/mol

Physical Properties
Molecular Weight: 422.912 g/mol	logS: -7.24428	SlogP: 5.53506	Reactive groups: 0

Topological Properties
Globularity: 0.0325057	Sterimol/B1: 2.30988	Sterimol/B2: 4.11565	Sterimol/B3: 4.78803
Sterimol/B4: 9.20033	Sterimol/L: 19.7588

Surface and Volume Properties
Accessible surface: 731.207	Positive charged surface: 409.717	Negative charged surface: 321.489	Volume: 401.875
Hydrophobic surface: 665.016	Hydrophilic surface: 66.191

Pharmacophoric Properties
Hydrogen bond donors: 2	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.