MMsINC Database Search


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MMsINC code: MMs01966576

Type: Neutral
Formula: C₂₄H₁₉ClN₂O₃

SMILES:

Clc1cc(ccc1)COc1cc(O)c(cc1)-c1ncncc1-c1ccccc1OC

InChI:

InChI=1/C24H19ClN2O3/c1-29-23-8-3-2-7-19(23)21-13-26-15-27-24(21)20-10-9-18(12-22(20)28)30-14-16-5-4-6-17(25)11-16/h2-13,15,28H,14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.846 kcal/mol

Physical Properties
Molecular Weight: 418.88 g/mol	logS: -7.3503	SlogP: 6.0236	Reactive groups: 0

Topological Properties
Globularity: 0.13308	Sterimol/B1: 2.34038	Sterimol/B2: 4.56702	Sterimol/B3: 6.88848
Sterimol/B4: 7.03908	Sterimol/L: 17.5473

Surface and Volume Properties
Accessible surface: 669.049	Positive charged surface: 402.989	Negative charged surface: 262.467	Volume: 388.125
Hydrophobic surface: 566.341	Hydrophilic surface: 102.708

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.